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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 (1,523)
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Sodium Salicylate (Powder/Certified), Fisher Chemical

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

EDGE
PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
2

2-Amino-4-methylbenzamide, Thermo Scientific™

CAS: 39549-79-6 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00221474 InChI Key: RUHKZVAPXHIWJH-UHFFFAOYSA-N Synonym: 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 PubChem CID: 2801474 IUPAC Name: 2-amino-4-methylbenzamide SMILES: CC1=CC(N)=C(C=C1)C(N)=O

PubChem CID 2801474
CAS 39549-79-6
Molecular Weight (g/mol) 150.18
MDL Number MFCD00221474
SMILES CC1=CC(N)=C(C=C1)C(N)=O
Synonym 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
IUPAC Name 2-amino-4-methylbenzamide
InChI Key RUHKZVAPXHIWJH-UHFFFAOYSA-N
Molecular Formula C8H10N2O
3

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

CAS: 5965-83-3 Molecular Formula: C9H14O6S Molecular Weight (g/mol): 250.27 MDL Number: MFCD00007508,MFCD00149540 InChI Key: NFYHZVWMQHQKRU-UHFFFAOYSA-N Synonym: 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 PubChem CID: 2723734 IUPAC Name: 2-hydroxy-5-sulfobenzoic acid; bis(methane) SMILES: C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O

PubChem CID 2723734
CAS 5965-83-3
Molecular Weight (g/mol) 250.27
MDL Number MFCD00007508,MFCD00149540
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
Synonym 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
IUPAC Name 2-hydroxy-5-sulfobenzoic acid; bis(methane)
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
4
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Benzoyl Peroxide (Wet/Certified),75%(weight), 25% water, Fisher Chemical™

CAS: 94-36-0 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00003071 InChI Key: OMPJBNCRMGITSC-UHFFFAOYSA-N Synonym: benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide PubChem CID: 7187 ChEBI: CHEBI:82405 IUPAC Name: benzoyl benzenecarboperoxoate SMILES: C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

PubChem CID 7187
CAS 94-36-0
Molecular Weight (g/mol) 242.23
ChEBI CHEBI:82405
MDL Number MFCD00003071
SMILES C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2
Synonym benzoyl peroxide,dibenzoyl peroxide,peroxide, dibenzoyl,benzoperoxide,benzoyl superoxide,acetoxyl,lucidol,benoxyl,panoxyl,benzol peroxide
IUPAC Name benzoyl benzenecarboperoxoate
InChI Key OMPJBNCRMGITSC-UHFFFAOYSA-N
Molecular Formula C14H10O4
5
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Sodium Salicylate (Small Crystals, Free Flowing/USP), Fisher Chemical™

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.104 MDL Number: MFCD00002440 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M Synonym: sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl PubChem CID: 16760658 ChEBI: CHEBI:9180 IUPAC Name: sodium;2-hydroxybenzoate SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]

PubChem CID 16760658
CAS 54-21-7
Molecular Weight (g/mol) 160.104
ChEBI CHEBI:9180
MDL Number MFCD00002440
SMILES C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
Synonym sodium salicylate,sodium 2-hydroxybenzoate,salsonin,clin,enterosalicyl,enterosalil,entrosalyl,glutosalyl,kerasalicyl,magsalyl
IUPAC Name sodium;2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
6

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

CAS: 3586-15-0 Molecular Formula: C13H9ClO2 Molecular Weight (g/mol): 232.663 MDL Number: MFCD03424712 InChI Key: TTZXIWBOKOZOPL-UHFFFAOYSA-N Synonym: benzoyl chloride, 3-phenoxy,m-phenoxybenzoyl chloride,m-phenoxy benzoylchoride,3-phenoxy benzoyl chloride,3-phenoxy-benzoyl chloride,benzoyl chloride,3-phenoxy PubChem CID: 2760341 IUPAC Name: 3-phenoxybenzoyl chloride SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)Cl

PubChem CID 2760341
CAS 3586-15-0
Molecular Weight (g/mol) 232.663
MDL Number MFCD03424712
SMILES C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)Cl
Synonym benzoyl chloride, 3-phenoxy,m-phenoxybenzoyl chloride,m-phenoxy benzoylchoride,3-phenoxy benzoyl chloride,3-phenoxy-benzoyl chloride,benzoyl chloride,3-phenoxy
IUPAC Name 3-phenoxybenzoyl chloride
InChI Key TTZXIWBOKOZOPL-UHFFFAOYSA-N
Molecular Formula C13H9ClO2
7

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

CAS: 364794-79-6 Molecular Formula: C17H26BNO3 Molecular Weight (g/mol): 303.21 MDL Number: MFCD04974052 InChI Key: JOIXYIWXEYXHHG-UHFFFAOYSA-N Synonym: 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 PubChem CID: 2795502 IUPAC Name: 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

PubChem CID 2795502
CAS 364794-79-6
Molecular Weight (g/mol) 303.21
MDL Number MFCD04974052
SMILES CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1
Synonym 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
IUPAC Name 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
InChI Key JOIXYIWXEYXHHG-UHFFFAOYSA-N
Molecular Formula C17H26BNO3
8

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

CAS: 220298-96-4 Molecular Formula: C12H18N2O2 Molecular Weight (g/mol): 222.29 MDL Number: MFCD02183573 InChI Key: URXUHALBOWYXJZ-UHFFFAOYSA-N Synonym: 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 PubChem CID: 2794659 IUPAC Name: tert-butyl N-[4-(aminomethyl)phenyl]carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1

PubChem CID 2794659
CAS 220298-96-4
Molecular Weight (g/mol) 222.29
MDL Number MFCD02183573
SMILES CC(C)(C)OC(=O)NC1=CC=C(CN)C=C1
Synonym 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
IUPAC Name tert-butyl N-[4-(aminomethyl)phenyl]carbamate
InChI Key URXUHALBOWYXJZ-UHFFFAOYSA-N
Molecular Formula C12H18N2O2
9

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

CAS: 58419-69-5 Molecular Formula: C9H8BrN3 Molecular Weight (g/mol): 238.088 MDL Number: MFCD04113600 InChI Key: NOUAEJFAVOHNSY-UHFFFAOYSA-N Synonym: 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 PubChem CID: 2776489 IUPAC Name: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole SMILES: C1=CC(=CC=C1CBr)N2C=NC=N2

PubChem CID 2776489
CAS 58419-69-5
Molecular Weight (g/mol) 238.088
MDL Number MFCD04113600
SMILES C1=CC(=CC=C1CBr)N2C=NC=N2
Synonym 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
IUPAC Name 1-[4-(bromomethyl)phenyl]-1,2,4-triazole
InChI Key NOUAEJFAVOHNSY-UHFFFAOYSA-N
Molecular Formula C9H8BrN3
10
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Benzyl Alcohol (NF), Fisher Chemical™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
11
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Benzyl Alcohol (Certified ACS), Fisher Chemical™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
12
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p-Dimethylaminobenzaldehyde (Certified ACS), Fisher Chemical™

CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 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 PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1

PubChem CID 7479
CAS 100-10-7
Molecular Weight (g/mol) 149.19
MDL Number MFCD00003381
SMILES CN(C)C1=CC=C(C=O)C=C1
Synonym 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
IUPAC Name 4-(dimethylamino)benzaldehyde
InChI Key BGNGWHSBYQYVRX-UHFFFAOYSA-N
Molecular Formula C9H11NO
13
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Sodium phenoxide, 98%

CAS: 139-02-6 Molecular Formula: C6H5NaO Molecular Weight (g/mol): 116.10 MDL Number: MFCD00013134 InChI Key: NESLWCLHZZISNB-UHFFFAOYSA-M Synonym: sodium phenoxide,sodium phenolate,sodium phenate,phenolate sodium,sodium benzenolate,sodium carbolate,phenol sodium,phenol sodium salt,phenol, sodium salt,naoph PubChem CID: 4445035 ChEBI: CHEBI:52476 SMILES: [Na+].[O-]C1=CC=CC=C1

PubChem CID 4445035
CAS 139-02-6
Molecular Weight (g/mol) 116.10
ChEBI CHEBI:52476
MDL Number MFCD00013134
SMILES [Na+].[O-]C1=CC=CC=C1
Synonym sodium phenoxide,sodium phenolate,sodium phenate,phenolate sodium,sodium benzenolate,sodium carbolate,phenol sodium,phenol sodium salt,phenol, sodium salt,naoph
InChI Key NESLWCLHZZISNB-UHFFFAOYSA-M
Molecular Formula C6H5NaO
14
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Ethyl salicylate, 99%

CAS: 118-61-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002215 InChI Key: GYCKQBWUSACYIF-UHFFFAOYSA-N Synonym: ethyl salicylate,sal ethyl,mesotol,salotan,salicylic ether,salicylic acid, ethyl ester,benzoic acid, 2-hydroxy-, ethyl ester,ethyl o-hydroxybenzoate,o-ethoxycarbonyl phenol,2-hydroxybenzoic acid ethyl ester PubChem CID: 8365 IUPAC Name: ethyl 2-hydroxybenzoate SMILES: CCOC(=O)C1=CC=CC=C1O

PubChem CID 8365
CAS 118-61-6
Molecular Weight (g/mol) 166.176
MDL Number MFCD00002215
SMILES CCOC(=O)C1=CC=CC=C1O
Synonym ethyl salicylate,sal ethyl,mesotol,salotan,salicylic ether,salicylic acid, ethyl ester,benzoic acid, 2-hydroxy-, ethyl ester,ethyl o-hydroxybenzoate,o-ethoxycarbonyl phenol,2-hydroxybenzoic acid ethyl ester
IUPAC Name ethyl 2-hydroxybenzoate
InChI Key GYCKQBWUSACYIF-UHFFFAOYSA-N
Molecular Formula C9H10O3
15

Tropicamide, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.