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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Benzyl Derivatives (1,408)
Hydroxybenzoic Acid Derivatives (1,086)
Trifluoromethylbenzenes (1,013)
Benzoyl derivatives (974)
Fluorobenzenes (941)
Bromobenzenes (795)
Phenylpropanes (642)
Phenylphosphines and derivatives (612)
Diphenylmethanes (608)
Phenoxy compounds (581)
Phenylmethylamines (506)
Iodobenzenes (478)
Methoxybenzenes (445)
Nitrobenzoic acids and derivatives (419)
Aniline and substituted anilines (369)
Benzophenones (366)
Benzenesulfonamides (356)
Styrenes (341)
Nitrobenzenes (292)
Aminotoluenes (284)
Phenylhydrazines (266)
Aminobenzoic acids and derivatives (262)
Benzoic acid esters (249)
Methoxybenzoic acids and derivatives (244)
Diphenylethers (222)
Nitrotoluenes (188)
Biphenyls and derivatives (177)
Benzenesulfonyl compounds (174)
Anilides (150)
Cumenes (150)
Phthalic acid and derivatives (132)
Phenoxyacetic acid derivatives (122)
Benzenesulfonic acids and derivatives (119)
Benzamides (85)
Terphenyls (66)
N-phenylthioureas (60)
Phenylcarbamic acid esters (55)
Tosyl compounds (52)
N-phenylureas (49)
Benzoic acids (44)
Sulfanylbenzoic acids and derivatives (40)
Acetophenones (36)
Phenylacetamides (33)
Phenoxides (32)
Acylaminobenzoic acid and derivatives (29)
Phenylacetaldehydes (28)
Phenylpropenes (26)
Sulfanilides (24)
Toluamides (24)
Phenylpyruvic acid derivatives (20)
Diphenylacetonitriles (19)
Phenylbutylamines (17)
Biphenols (16)
Cyclohexylphenols (16)
Toluene diisocyanates (12)
Phenylpropylamines (11)
Thiobenzoic acids and derivatives (11)
Alkyldimethylbenzylammonium halides (10)
Benzoyl peroxides (8)
Butyrophenones (7)
2-phenoxypropionic acids (5)
3-phenoxypropionic acids (5)
Peroxybenzoic acids and derivatives (5)
1 2-Dihalobenzenes (2)
Benzazocines (1)

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p-Dimethylaminobenzaldehyde (Certified ACS), Fisher Chemical™

CAS: 100-10-7 Formule moléculaire: C9H11NO Poids moléculaire (g/mol): 149.19 Numéro MDL: MFCD00003381 Clé InChI: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonyme: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal CID PubChem: 7479 Nom IUPAC: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1

Poids moléculaire (g/mol) 149.19
Synonyme 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
Numéro MDL MFCD00003381
CAS 100-10-7
CID PubChem 7479
Nom IUPAC 4-(dimethylamino)benzaldehyde
Clé InChI BGNGWHSBYQYVRX-UHFFFAOYSA-N
SMILES CN(C)C1=CC=C(C=O)C=C1
Formule moléculaire C9H11NO
2

tert-Butyl N-[4-(aminomethyl)phenyl]carbamate, 97%, Thermo Scientific™

CAS: 220298-96-4 Formule moléculaire: C12H18N2O2 Poids moléculaire (g/mol): 222.29 Numéro MDL: MFCD02183573 Clé InChI: URXUHALBOWYXJZ-UHFFFAOYSA-N Synonyme: tert-butyl n-4-aminomethyl phenyl carbamate,4-aminomethyl-1-n-boc-aniline,tert-butyl 4-aminomethyl phenyl carbamate,4-boc-amino benzylamine,4-aminomethy-1-n-boc-aniline,4-n-boc-amino benzylamine,4-tert-butoxycarbonylamino benzylamine,4-aminomethyl-n-boc-aniline,tert-butyl-n-4-aminomethyl phenyl carbamate CID PubChem: 2794659 Nom IUPAC: tert-butyl N-[4-(aminomethyl)phenyl]carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1

Poids moléculaire (g/mol) 222.29
Synonyme tert-butyl n-4-aminomethyl phenyl carbamate,4-aminomethyl-1-n-boc-aniline,tert-butyl 4-aminomethyl phenyl carbamate,4-boc-amino benzylamine,4-aminomethy-1-n-boc-aniline,4-n-boc-amino benzylamine,4-tert-butoxycarbonylamino benzylamine,4-aminomethyl-n-boc-aniline,tert-butyl-n-4-aminomethyl phenyl carbamate
Numéro MDL MFCD02183573
CAS 220298-96-4
CID PubChem 2794659
Nom IUPAC tert-butyl N-[4-(aminomethyl)phenyl]carbamate
Clé InChI URXUHALBOWYXJZ-UHFFFAOYSA-N
SMILES CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1
Formule moléculaire C12H18N2O2
3

1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole, 97%, Thermo Scientific™

CAS: 58419-69-5 Formule moléculaire: C9H8BrN3 Poids moléculaire (g/mol): 238.088 Numéro MDL: MFCD04113600 Clé InChI: NOUAEJFAVOHNSY-UHFFFAOYSA-N Synonyme: 1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole CID PubChem: 2776489 Nom IUPAC: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole SMILES: C1=CC(=CC=C1CBr)N2C=NC=N2

Poids moléculaire (g/mol) 238.088
Synonyme 1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole
Numéro MDL MFCD04113600
CAS 58419-69-5
CID PubChem 2776489
Nom IUPAC 1-[4-(bromomethyl)phenyl]-1,2,4-triazole
Clé InChI NOUAEJFAVOHNSY-UHFFFAOYSA-N
SMILES C1=CC(=CC=C1CBr)N2C=NC=N2
Formule moléculaire C9H8BrN3
4

4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine, 97%, Thermo Scientific™

CAS: 364794-79-6 Formule moléculaire: C17H26BNO3 Poids moléculaire (g/mol): 303.21 Numéro MDL: MFCD04974052 Clé InChI: JOIXYIWXEYXHHG-UHFFFAOYSA-N Synonyme: 4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,4-morpholinomethyl phenylboronic acid pinacol ester,4-4-morpholinomethyl phenylboronic acid pinacol ester,4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-methylmorpholino phenylboronic acid, pinacol ester,4-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-morpholinomethyl phenylboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-morpholin-4-ylmethyl phenyl-1,3,2-dioxaborolane CID PubChem: 2795502 Nom IUPAC: 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1

Poids moléculaire (g/mol) 303.21
Synonyme 4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,4-morpholinomethyl phenylboronic acid pinacol ester,4-4-morpholinomethyl phenylboronic acid pinacol ester,4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-methylmorpholino phenylboronic acid, pinacol ester,4-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-morpholinomethyl phenylboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-morpholin-4-ylmethyl phenyl-1,3,2-dioxaborolane
Numéro MDL MFCD04974052
CAS 364794-79-6
CID PubChem 2795502
Nom IUPAC 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
Clé InChI JOIXYIWXEYXHHG-UHFFFAOYSA-N
SMILES CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1
Formule moléculaire C17H26BNO3
5

3-Phenoxybenzoyl chloride, ≥97%, Thermo Scientific™

CAS: 3586-15-0 Formule moléculaire: C13H9ClO2 Poids moléculaire (g/mol): 232.663 Numéro MDL: MFCD03424712 Clé InChI: TTZXIWBOKOZOPL-UHFFFAOYSA-N Synonyme: benzoyl chloride, 3-phenoxy,m-phenoxybenzoyl chloride,m-phenoxy benzoylchoride,3-phenoxy benzoyl chloride,3-phenoxy-benzoyl chloride,benzoyl chloride,3-phenoxy CID PubChem: 2760341 Nom IUPAC: 3-phenoxybenzoyl chloride SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)Cl

Poids moléculaire (g/mol) 232.663
Synonyme benzoyl chloride, 3-phenoxy,m-phenoxybenzoyl chloride,m-phenoxy benzoylchoride,3-phenoxy benzoyl chloride,3-phenoxy-benzoyl chloride,benzoyl chloride,3-phenoxy
Numéro MDL MFCD03424712
CAS 3586-15-0
CID PubChem 2760341
Nom IUPAC 3-phenoxybenzoyl chloride
Clé InChI TTZXIWBOKOZOPL-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)Cl
Formule moléculaire C13H9ClO2
6

5-Sulfosalicylic Acid Dihydrate (Crystalline/Certified ACS), Fisher Chemical™

CAS: 5965-83-3 Formule moléculaire: C9H14O6S Poids moléculaire (g/mol): 250.27 Numéro MDL: MFCD00007508,MFCD00149540 Clé InChI: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonyme: 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd CID PubChem: 2723734 Nom IUPAC: 2-hydroxy-5-sulfobenzoic acid; bis(methane) SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

Poids moléculaire (g/mol) 250.27
Synonyme 2-hydroxy-5-sulfobenzoic acid dihydrate,5-sulfosalicylic acid dihydrate,sulfosalicylic acid dihydrate,benzoic acid, 2-hydroxy-5-sulfo-, dihydrate,unii-09ngq462s6,2-hydroxy-5-sulfobenzoic acid, hydrate, hydrate,5-sulfosalicylsyre,5-sulfosalicylsaeure,salicylic acid, 5-sulfo-, dihydrate,acmc-1aymd
Numéro MDL MFCD00007508,MFCD00149540
CAS 5965-83-3
CID PubChem 2723734
Nom IUPAC 2-hydroxy-5-sulfobenzoic acid; bis(methane)
Clé InChI NFYHZVWMQHQKRU-UHFFFAOYSA-N
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Formule moléculaire C9H14O6S
7

Benzyl Alcohol (NF), Fisher Chemical™

CAS: 100-51-6 Formule moléculaire: C7H8O Poids moléculaire (g/mol): 108.14 Numéro MDL: MFCD00004599,MFCD03792087 Clé InChI: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonyme: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol CID PubChem: 244 ChEBI: CHEBI:17987 Nom IUPAC: phenylmethanol SMILES: OCC1=CC=CC=C1

Poids moléculaire (g/mol) 108.14
Synonyme benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
Numéro MDL MFCD00004599,MFCD03792087
CAS 100-51-6
CID PubChem 244
ChEBI CHEBI:17987
Nom IUPAC phenylmethanol
Clé InChI WVDDGKGOMKODPV-UHFFFAOYSA-N
SMILES OCC1=CC=CC=C1
Formule moléculaire C7H8O
8

Benzyl Alcohol (Certified ACS), Fisher Chemical™

CAS: 100-51-6 Formule moléculaire: C7H8O Poids moléculaire (g/mol): 108.14 Numéro MDL: MFCD00004599,MFCD03792087 Clé InChI: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonyme: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol CID PubChem: 244 ChEBI: CHEBI:17987 Nom IUPAC: phenylmethanol SMILES: OCC1=CC=CC=C1

Poids moléculaire (g/mol) 108.14
Synonyme benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
Numéro MDL MFCD00004599,MFCD03792087
CAS 100-51-6
CID PubChem 244
ChEBI CHEBI:17987
Nom IUPAC phenylmethanol
Clé InChI WVDDGKGOMKODPV-UHFFFAOYSA-N
SMILES OCC1=CC=CC=C1
Formule moléculaire C7H8O
9
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Benzoyl Peroxide (Wet/Certified),75%(weight), 25% water, Fisher Chemical™

CAS: 94-36-0 Formule moléculaire: C14H10O4 Poids moléculaire (g/mol): 242.23 Numéro MDL: MFCD00003071 Clé InChI: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonyme: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide CID PubChem: 7187 ChEBI: CHEBI:82405 Nom IUPAC: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

Poids moléculaire (g/mol) 242.23
Synonyme benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide
Numéro MDL MFCD00003071
CAS 94-36-0
CID PubChem 7187
ChEBI CHEBI:82405
Nom IUPAC benzoyl benzenecarboperoxoate
Clé InChI OMPJBNCRMGITSC-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
Formule moléculaire C14H10O4
10
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Sodium Salicylate (Powder/Certified), Fisher Chemical

CAS: 54-21-7 Formule moléculaire: C7H5NaO3 Poids moléculaire (g/mol): 160.104 Numéro MDL: MFCD00002440 Clé InChI: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonyme: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl CID PubChem: 16760658 ChEBI: CHEBI:9180 Nom IUPAC: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

Poids moléculaire (g/mol) 160.104
Synonyme sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
Numéro MDL MFCD00002440
CAS 54-21-7
CID PubChem 16760658
ChEBI CHEBI:9180
Nom IUPAC sodium;2-hydroxybenzoate
Clé InChI ABBQHOQBGMUPJH-UHFFFAOYSA-M
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Formule moléculaire C7H5NaO3
11
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Sodium Salicylate (Small Crystals, Free Flowing/USP), Fisher Chemical™

CAS: 54-21-7 Formule moléculaire: C7H5NaO3 Poids moléculaire (g/mol): 160.104 Numéro MDL: MFCD00002440 Clé InChI: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonyme: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl CID PubChem: 16760658 ChEBI: CHEBI:9180 Nom IUPAC: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

Poids moléculaire (g/mol) 160.104
Synonyme sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
Numéro MDL MFCD00002440
CAS 54-21-7
CID PubChem 16760658
ChEBI CHEBI:9180
Nom IUPAC sodium;2-hydroxybenzoate
Clé InChI ABBQHOQBGMUPJH-UHFFFAOYSA-M
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Formule moléculaire C7H5NaO3
12

2-Amino-4-methylbenzamide, Thermo Scientific™

CAS: 39549-79-6 Formule moléculaire: C8H10N2O Poids moléculaire (g/mol): 150.18 Numéro MDL: MFCD00221474 Clé InChI: RUHKZVAPXHIWJH-UHFFFAOYSA-N Synonyme: 2-amino-4-methyl-benzamide,benzamide, 2-amino-4-methyl,pubchem4030,2-azanyl-4-methyl-benzamide,benzamide,2-amino-4-methyl,benzamide, 2-amino-4-methyl-9ci CID PubChem: 2801474 Nom IUPAC: 2-amino-4-methylbenzamide SMILES: CC1=CC(N)=C(C=C1)C(N)=O

Poids moléculaire (g/mol) 150.18
Synonyme 2-amino-4-methyl-benzamide,benzamide, 2-amino-4-methyl,pubchem4030,2-azanyl-4-methyl-benzamide,benzamide,2-amino-4-methyl,benzamide, 2-amino-4-methyl-9ci
Numéro MDL MFCD00221474
CAS 39549-79-6
CID PubChem 2801474
Nom IUPAC 2-amino-4-methylbenzamide
Clé InChI RUHKZVAPXHIWJH-UHFFFAOYSA-N
SMILES CC1=CC(N)=C(C=C1)C(N)=O
Formule moléculaire C8H10N2O
13

m-Phenetidine, 98%

CAS: 621-33-0 Formule moléculaire: C8H11NO Poids moléculaire (g/mol): 137.18 Numéro MDL: MFCD00007785 Clé InChI: WEZAHYDFZNTGKE-UHFFFAOYSA-N Synonyme: m-phenetidine,benzenamine, 3-ethoxy,m-ethoxyaniline,3-ethoxybenzenamine,unii-xe9kkl972r,ccris 4696,xe9kkl972r,3-ethoxyphenylamine,3-ethoxy aniline,3-ethoxy-phenylamine CID PubChem: 12120 Nom IUPAC: 3-ethoxyaniline SMILES: CCOC1=CC=CC(N)=C1

Poids moléculaire (g/mol) 137.18
Synonyme m-phenetidine,benzenamine, 3-ethoxy,m-ethoxyaniline,3-ethoxybenzenamine,unii-xe9kkl972r,ccris 4696,xe9kkl972r,3-ethoxyphenylamine,3-ethoxy aniline,3-ethoxy-phenylamine
Numéro MDL MFCD00007785
CAS 621-33-0
CID PubChem 12120
Nom IUPAC 3-ethoxyaniline
Clé InChI WEZAHYDFZNTGKE-UHFFFAOYSA-N
SMILES CCOC1=CC=CC(N)=C1
Formule moléculaire C8H11NO
14

2-(Trifluoromethyl)benzoic acid, 98%

CAS: 433-97-6 Formule moléculaire: C8H5F3O2 Poids moléculaire (g/mol): 190.12 Numéro MDL: MFCD00002476 Clé InChI: FBRJYBGLCHWYOE-UHFFFAOYSA-N Synonyme: 2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid CID PubChem: 9899 ChEBI: CHEBI:60694 Nom IUPAC: 2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC=C1C(F)(F)F

Poids moléculaire (g/mol) 190.12
Synonyme 2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid
Numéro MDL MFCD00002476
CAS 433-97-6
CID PubChem 9899
ChEBI CHEBI:60694
Nom IUPAC 2-(trifluoromethyl)benzoic acid
Clé InChI FBRJYBGLCHWYOE-UHFFFAOYSA-N
SMILES OC(=O)C1=CC=CC=C1C(F)(F)F
Formule moléculaire C8H5F3O2
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4-Trifluoromethylphenylboronic acid, 98%, Thermo Scientific Chemicals

CAS: 128796-39-4 Formule moléculaire: C7H6BF3O2 Poids moléculaire (g/mol): 189.93 Numéro MDL: MFCD00151855 Clé InChI: ALMFIOZYDASRRC-UHFFFAOYSA-N Synonyme: 4-trifluoromethyl phenylboronic acid,4-trifluoromethylphenylboronic acid,4-trifluoromethyl benzeneboronic acid,4-trifluoromethyl phenyl boronic acid,4-trifluoromethylphenyl boronic acid,4-trifluoromethyl phenyl boranediol,4-boronobenzotrifluoride,p-trifluoromethyl phenylboronic acid,4-trifluoromethylphenyl-boronic acid CID PubChem: 2734389 Nom IUPAC: [4-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=C(C=C1)C(F)(F)F

Poids moléculaire (g/mol) 189.93
Synonyme 4-trifluoromethyl phenylboronic acid,4-trifluoromethylphenylboronic acid,4-trifluoromethyl benzeneboronic acid,4-trifluoromethyl phenyl boronic acid,4-trifluoromethylphenyl boronic acid,4-trifluoromethyl phenyl boranediol,4-boronobenzotrifluoride,p-trifluoromethyl phenylboronic acid,4-trifluoromethylphenyl-boronic acid
Numéro MDL MFCD00151855
CAS 128796-39-4
CID PubChem 2734389
Nom IUPAC [4-(trifluoromethyl)phenyl]boronic acid
Clé InChI ALMFIOZYDASRRC-UHFFFAOYSA-N
SMILES OB(O)C1=CC=C(C=C1)C(F)(F)F
Formule moléculaire C7H6BF3O2