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.

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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

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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

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

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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

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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

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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

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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

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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

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

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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

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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+]

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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

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

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

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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

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

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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

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

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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

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

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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

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Sodium Salicylate (Powder/Certified), Fisher Chemical

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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

3,5-Dimethylphenylacetonitrile, 98%

CAS: 39101-54-7 Formule moléculaire: C10H11N Poids moléculaire (g/mol): 145.205 Numéro MDL: MFCD00060304 Clé InChI: LMUKNQSVBFEUKR-UHFFFAOYSA-N Synonyme: 3,5-dimethylphenylacetonitrile,2-3,5-dimethylphenyl acetonitrile,3,5-dimethylphenyl acetonitrile,benzeneacetonitrile, 3,5-dimethyl,3,5-dimethyl-phenyl-acetonitrile,2-3,5-dimethylphenyl ethanenitrile,acmc-20a3vm,3.5-dimethylphenylacetonitril,3,5-dimethylbenzeneacetonitrile,3,5-dimethylphenylethanenitrile CID PubChem: 123481 Nom IUPAC: 2-(3,5-dimethylphenyl)acetonitrile SMILES: CC1=CC(=CC(=C1)CC#N)C

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Poids moléculaire (g/mol)	145.205
Synonyme	3,5-dimethylphenylacetonitrile,2-3,5-dimethylphenyl acetonitrile,3,5-dimethylphenyl acetonitrile,benzeneacetonitrile, 3,5-dimethyl,3,5-dimethyl-phenyl-acetonitrile,2-3,5-dimethylphenyl ethanenitrile,acmc-20a3vm,3.5-dimethylphenylacetonitril,3,5-dimethylbenzeneacetonitrile,3,5-dimethylphenylethanenitrile
Numéro MDL	MFCD00060304
CAS	39101-54-7
CID PubChem	123481
Nom IUPAC	2-(3,5-dimethylphenyl)acetonitrile
Clé InChI	LMUKNQSVBFEUKR-UHFFFAOYSA-N
SMILES	CC1=CC(=CC(=C1)CC#N)C
Formule moléculaire	C10H11N

4-Isopropylbenzenesulfonyl chloride, 96%

CAS: 54997-90-9 Formule moléculaire: C9H11ClO2S Poids moléculaire (g/mol): 218.70 Numéro MDL: MFCD00041510 Clé InChI: CETRNHJIXGITKR-UHFFFAOYSA-N Synonyme: 4-isopropylbenzenesulfonyl chloride,4-isopropylbenzene-1-sulfonyl chloride,4-isopropylbenzenesulfonylchloride,4-propan-2-yl benzene-1-sulfonyl chloride,4-isopropyl benzenesulfonyl chloride,4-isopropyl-benzenesulfonyl chloride,4-propan-2-yl benzenesulfonyl chloride,4-isopropylbenzensulfonylchloride,4-isopropylphenylsulfonyl chloride,p-isopropylbenzenesulfonyl chloride CID PubChem: 2734882 Nom IUPAC: 4-propan-2-ylbenzenesulfonyl chloride SMILES: CC(C)C1=CC=C(C=C1)S(Cl)(=O)=O

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Poids moléculaire (g/mol)	218.70
Synonyme	4-isopropylbenzenesulfonyl chloride,4-isopropylbenzene-1-sulfonyl chloride,4-isopropylbenzenesulfonylchloride,4-propan-2-yl benzene-1-sulfonyl chloride,4-isopropyl benzenesulfonyl chloride,4-isopropyl-benzenesulfonyl chloride,4-propan-2-yl benzenesulfonyl chloride,4-isopropylbenzensulfonylchloride,4-isopropylphenylsulfonyl chloride,p-isopropylbenzenesulfonyl chloride
Numéro MDL	MFCD00041510
CAS	54997-90-9
CID PubChem	2734882
Nom IUPAC	4-propan-2-ylbenzenesulfonyl chloride
Clé InChI	CETRNHJIXGITKR-UHFFFAOYSA-N
SMILES	CC(C)C1=CC=C(C=C1)S(Cl)(=O)=O
Formule moléculaire	C9H11ClO2S

(Ethoxycarbonylmethyl)triphenylphosphonium bromide, 98+%

CAS: 1530-45-6 Formule moléculaire: C22H22BrO2P Poids moléculaire (g/mol): 429.29 Numéro MDL: MFCD00011835 Clé InChI: VJVZPTPOYCJFNI-UHFFFAOYSA-M Synonyme: carbethoxymethyl triphenylphosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphonium bromide,ethoxycarbonylmethyl triphenylphosphonium bromide,carbethoxymethylenetriphenylphosphonium bromide,ethoxycarbonylmethyl triphenyl phosphonium bromide,phosphonium, 2-ethoxy-2-oxoethyl triphenyl-, bromide,carbethoxymethyl-triphenyl-phosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphanium bromide,carboethoxymethyl triphenylphosphonium bromide,phosphonium, ethoxycarbonylmethyl triphenyl-, bromide CID PubChem: 73731 SMILES: [Br-].CCOC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Poids moléculaire (g/mol)	429.29
Synonyme	carbethoxymethyl triphenylphosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphonium bromide,ethoxycarbonylmethyl triphenylphosphonium bromide,carbethoxymethylenetriphenylphosphonium bromide,ethoxycarbonylmethyl triphenyl phosphonium bromide,phosphonium, 2-ethoxy-2-oxoethyl triphenyl-, bromide,carbethoxymethyl-triphenyl-phosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphanium bromide,carboethoxymethyl triphenylphosphonium bromide,phosphonium, ethoxycarbonylmethyl triphenyl-, bromide
Numéro MDL	MFCD00011835
CAS	1530-45-6
CID PubChem	73731
Clé InChI	VJVZPTPOYCJFNI-UHFFFAOYSA-M
SMILES	[Br-].CCOC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Formule moléculaire	C22H22BrO2P

Benzene and substituted derivatives

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