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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.
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2,686 – 2,700 of 57,283 results
2,686

p-Toluenesulfonic anhydride, 95%

CAS: 4124-41-8 Molecular Formula: C14H14O5S2 Molecular Weight (g/mol): 326.39 MDL Number: MFCD00008548 InChI Key: PDVFSPNIEOYOQL-UHFFFAOYSA-N Synonym: p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride PubChem CID: 77773 IUPAC Name: (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C

PubChem CID 77773
CAS 4124-41-8
Molecular Weight (g/mol) 326.39
MDL Number MFCD00008548
SMILES CC1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C2=CC=C(C=C2)C
Synonym p-toluenesulfonic anhydride,4-methylbenzenesulfonic anhydride,4-toluenesulfonic anhydride,p-toluenesulfonicanhydride,p-toluene sulfonic anhydride,toluene-p-sulphonic anhydride,4-methylphenyl sulfonyl 4-methylbenzenesulfonate,p-toluenesulphonic anhydride,toluene-4-sulfonic anhydride,benzenesulfonic acid, 4-methyl-, anhydride
IUPAC Name (4-methylphenyl)sulfonyl 4-methylbenzenesulfonate
InChI Key PDVFSPNIEOYOQL-UHFFFAOYSA-N
Molecular Formula C14H14O5S2
2,687

5-Sulfosalicylic Acid, Dihydrate, Crystal, ACS, 99.0-101.0%, Spectrum™ Chemical
SDP

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

CAS 5965-83-3
Molecular Weight (g/mol) 250.27
SMILES C.C.OC(=O)C1=CC(=CC=C1O)S(O)(=O)=O
IUPAC Name 2-hydroxy-5-sulfobenzoic acid; bis(methane)
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
2,688

N-Boc-4-bromoaniline, 97%

CAS: 131818-17-2 Molecular Formula: C11H14BrNO2 Molecular Weight (g/mol): 272.14 MDL Number: MFCD01006612 InChI Key: VLGPDTPSKUUHKR-UHFFFAOYSA-N Synonym: tert-butyl 4-bromophenyl carbamate,tert-butyl n-4-bromophenyl carbamate,tert-butyl 4-bromophenylcarbamate,n-boc-4-bromoaniline,n-tert-butoxycarbonyl-4-bromoaniline,metronidazolebenzoate,n-boc 4-bromoaniline,4-bromo-n-boc aniline,acmc-1c4z5,t-butyl 4-bromophenylcarbamate PubChem CID: 2773608 IUPAC Name: tert-butyl N-(4-bromophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=C(Br)C=C1

PubChem CID 2773608
CAS 131818-17-2
Molecular Weight (g/mol) 272.14
MDL Number MFCD01006612
SMILES CC(C)(C)OC(=O)NC1=CC=C(Br)C=C1
Synonym tert-butyl 4-bromophenyl carbamate,tert-butyl n-4-bromophenyl carbamate,tert-butyl 4-bromophenylcarbamate,n-boc-4-bromoaniline,n-tert-butoxycarbonyl-4-bromoaniline,metronidazolebenzoate,n-boc 4-bromoaniline,4-bromo-n-boc aniline,acmc-1c4z5,t-butyl 4-bromophenylcarbamate
IUPAC Name tert-butyl N-(4-bromophenyl)carbamate
InChI Key VLGPDTPSKUUHKR-UHFFFAOYSA-N
Molecular Formula C11H14BrNO2
2,689

5-Sulfoisophthalic acid monosodium salt, 95%

CAS: 6362-79-4 Molecular Formula: C8H5NaO7S Molecular Weight (g/mol): 268.171 MDL Number: MFCD00007495 InChI Key: YXTFRJVQOWZDPP-UHFFFAOYSA-M Synonym: 5-sulfafe-3-phthalicacid PubChem CID: 57488606 IUPAC Name: sodium;3-carboxy-5-sulfobenzoate SMILES: C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)[O-].[Na+]

PubChem CID 57488606
CAS 6362-79-4
Molecular Weight (g/mol) 268.171
MDL Number MFCD00007495
SMILES C1=C(C=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)[O-].[Na+]
Synonym 5-sulfafe-3-phthalicacid
IUPAC Name sodium;3-carboxy-5-sulfobenzoate
InChI Key YXTFRJVQOWZDPP-UHFFFAOYSA-M
Molecular Formula C8H5NaO7S
2,690

N-Boc-4-bromo-3-fluoroaniline, 96%, Thermo Scientific Chemicals

CAS: 868735-43-7 Molecular Formula: C11H13BrFNO2 Molecular Weight (g/mol): 290.132 MDL Number: MFCD11976284 InChI Key: FQLYUJLJZFATNI-UHFFFAOYSA-N Synonym: tert-butyl 4-bromo-3-fluorophenyl carbamate,tert-butyl n-4-bromo-3-fluorophenyl carbamate,tert-butyl 4-bromo-3-fluorophenylcarbamate,4-bromo-3-fluoro-phenyl-carbamic acid tert-butyl ester,n-boc-4-bromo-3-fluoroaniline PubChem CID: 59852943 IUPAC Name: tert-butyl N-(4-bromo-3-fluorophenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC(=C(C=C1)Br)F

PubChem CID 59852943
CAS 868735-43-7
Molecular Weight (g/mol) 290.132
MDL Number MFCD11976284
SMILES CC(C)(C)OC(=O)NC1=CC(=C(C=C1)Br)F
Synonym tert-butyl 4-bromo-3-fluorophenyl carbamate,tert-butyl n-4-bromo-3-fluorophenyl carbamate,tert-butyl 4-bromo-3-fluorophenylcarbamate,4-bromo-3-fluoro-phenyl-carbamic acid tert-butyl ester,n-boc-4-bromo-3-fluoroaniline
IUPAC Name tert-butyl N-(4-bromo-3-fluorophenyl)carbamate
InChI Key FQLYUJLJZFATNI-UHFFFAOYSA-N
Molecular Formula C11H13BrFNO2
2,691

3-(Boc-amino)phenol, 97%

CAS: 19962-06-2 Molecular Formula: C11H15NO3 Molecular Weight (g/mol): 209.25 MDL Number: MFCD06798070 InChI Key: HJQNVUQTARSZDK-UHFFFAOYSA-N Synonym: tert-butyl 3-hydroxyphenylcarbamate,3-boc-amino phenol,tert-butyl n-3-hydroxyphenyl carbamate,tert-butyl 3-hydroxyphenyl carbamate,n-boc-3-aminophenol,carbamic acid, 3-hydroxyphenyl-, 1,1-dimethylethyl ester,carbamic acid, n-3-hydroxyphenyl-, 1,1-dimethylethyl ester,carbamic acid,n-3-hydroxyphenyl-, 1,1-dimethylethyl ester,tert-butoxy-n-3-hydroxyphenyl carboxamide,n-boc-3-amino-phenol PubChem CID: 312485 IUPAC Name: tert-butyl N-(3-hydroxyphenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=CC(O)=C1

PubChem CID 312485
CAS 19962-06-2
Molecular Weight (g/mol) 209.25
MDL Number MFCD06798070
SMILES CC(C)(C)OC(=O)NC1=CC=CC(O)=C1
Synonym tert-butyl 3-hydroxyphenylcarbamate,3-boc-amino phenol,tert-butyl n-3-hydroxyphenyl carbamate,tert-butyl 3-hydroxyphenyl carbamate,n-boc-3-aminophenol,carbamic acid, 3-hydroxyphenyl-, 1,1-dimethylethyl ester,carbamic acid, n-3-hydroxyphenyl-, 1,1-dimethylethyl ester,carbamic acid,n-3-hydroxyphenyl-, 1,1-dimethylethyl ester,tert-butoxy-n-3-hydroxyphenyl carboxamide,n-boc-3-amino-phenol
IUPAC Name tert-butyl N-(3-hydroxyphenyl)carbamate
InChI Key HJQNVUQTARSZDK-UHFFFAOYSA-N
Molecular Formula C11H15NO3
2,692

2-(Boc-amino)benzeneboronic acid pinacol ester, 97%

CAS: 159624-15-4 Molecular Formula: C17H26BNO4 Molecular Weight (g/mol): 319.208 MDL Number: MFCD03411943 InChI Key: LVHGGVGVAUJQBB-UHFFFAOYSA-N Synonym: tert-butyl 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,2-boc-amino benzeneboronic acid pinacol ester,2-n-boc-amino phenylboronic acid pinacol ester,tert-butyl-n-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl n-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,2-boc-aminophenylboronic acid pinacol ester,tert-butyl n-2-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,2-boc-aminophenyl boronic acid, pinacol ester,2-boc-amino phenylboronic acid pinacol ester,2-tert-butoxycarbonylamino phenylboronic acid, pinacol ester PubChem CID: 2773231 IUPAC Name: tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC(=O)OC(C)(C)C

PubChem CID 2773231
CAS 159624-15-4
Molecular Weight (g/mol) 319.208
MDL Number MFCD03411943
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2NC(=O)OC(C)(C)C
Synonym tert-butyl 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,2-boc-amino benzeneboronic acid pinacol ester,2-n-boc-amino phenylboronic acid pinacol ester,tert-butyl-n-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,tert-butyl n-2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,2-boc-aminophenylboronic acid pinacol ester,tert-butyl n-2-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl carbamate,2-boc-aminophenyl boronic acid, pinacol ester,2-boc-amino phenylboronic acid pinacol ester,2-tert-butoxycarbonylamino phenylboronic acid, pinacol ester
IUPAC Name tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
InChI Key LVHGGVGVAUJQBB-UHFFFAOYSA-N
Molecular Formula C17H26BNO4
2,693

5-Sulfosalicylic acid dihydrate, 98%

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 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
InChI Key NFYHZVWMQHQKRU-UHFFFAOYSA-N
Molecular Formula C9H14O6S
2,694

5-Sulfosalicylic Acid, Dihydrate, Technical, 98%, Spectrum™ Chemical
SDP

CAS: 5965-83-3

CAS 5965-83-3
2,695

4,4'-Dihydroxybiphenyl, 99%

CAS: 92-88-6 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00002348 InChI Key: VCCBEIPGXKNHFW-UHFFFAOYSA-N Synonym: 4,4'-dihydroxybiphenyl,4,4'-biphenol,4,4'-biphenyldiol,biphenyl-4,4'-diol,1,1'-biphenyl-4,4'-diol,p,p'-biphenol,p,p'-diphenol,antioxidant dod,4,4'-dioxydiphenyl,p-dihydroxydiphenyl PubChem CID: 7112 ChEBI: CHEBI:34367 IUPAC Name: 4-(4-hydroxyphenyl)phenol SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)O)O

PubChem CID 7112
CAS 92-88-6
Molecular Weight (g/mol) 186.21
ChEBI CHEBI:34367
MDL Number MFCD00002348
SMILES C1=CC(=CC=C1C2=CC=C(C=C2)O)O
Synonym 4,4'-dihydroxybiphenyl,4,4'-biphenol,4,4'-biphenyldiol,biphenyl-4,4'-diol,1,1'-biphenyl-4,4'-diol,p,p'-biphenol,p,p'-diphenol,antioxidant dod,4,4'-dioxydiphenyl,p-dihydroxydiphenyl
IUPAC Name 4-(4-hydroxyphenyl)phenol
InChI Key VCCBEIPGXKNHFW-UHFFFAOYSA-N
Molecular Formula C12H10O2
2,696

4,4'-Biphenol, 97%

CAS: 92-88-6 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00002348 InChI Key: VCCBEIPGXKNHFW-UHFFFAOYSA-N Synonym: 4,4'-dihydroxybiphenyl,4,4'-biphenol,4,4'-biphenyldiol,biphenyl-4,4'-diol,1,1'-biphenyl-4,4'-diol,p,p'-biphenol,p,p'-diphenol,antioxidant dod,4,4'-dioxydiphenyl,p-dihydroxydiphenyl PubChem CID: 7112 ChEBI: CHEBI:34367 IUPAC Name: 4-(4-hydroxyphenyl)phenol SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)O)O

PubChem CID 7112
CAS 92-88-6
Molecular Weight (g/mol) 186.21
ChEBI CHEBI:34367
MDL Number MFCD00002348
SMILES C1=CC(=CC=C1C2=CC=C(C=C2)O)O
Synonym 4,4'-dihydroxybiphenyl,4,4'-biphenol,4,4'-biphenyldiol,biphenyl-4,4'-diol,1,1'-biphenyl-4,4'-diol,p,p'-biphenol,p,p'-diphenol,antioxidant dod,4,4'-dioxydiphenyl,p-dihydroxydiphenyl
IUPAC Name 4-(4-hydroxyphenyl)phenol
InChI Key VCCBEIPGXKNHFW-UHFFFAOYSA-N
2,697

2-Acetyl-6-methoxynaphthalene, 98%

CAS: 3900-45-6 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 MDL Number: MFCD00021643 InChI Key: GGWCZBGAIGGTDA-UHFFFAOYSA-N Synonym: 2-acetyl-6-methoxynaphthalene,1-6-methoxynaphthalen-2-yl ethanone,1-6-methoxy-2-naphthyl ethanone,6-methoxy-2-acetylnaphthalene,unii-61vbh3537c,6'-methoxy-2'-acetonaphthone,1-6-methoxy-2-naphthyl ethan-1-one,ethanone, 1-6-methoxy-2-naphthalenyl,2-acetyl-6-methoxy naphthalene,6-methoxy-2-acetyl naphthalene PubChem CID: 77506 IUPAC Name: 1-(6-methoxynaphthalen-2-yl)ethanone SMILES: CC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC

PubChem CID 77506
CAS 3900-45-6
Molecular Weight (g/mol) 200.24
MDL Number MFCD00021643
SMILES CC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC
Synonym 2-acetyl-6-methoxynaphthalene,1-6-methoxynaphthalen-2-yl ethanone,1-6-methoxy-2-naphthyl ethanone,6-methoxy-2-acetylnaphthalene,unii-61vbh3537c,6'-methoxy-2'-acetonaphthone,1-6-methoxy-2-naphthyl ethan-1-one,ethanone, 1-6-methoxy-2-naphthalenyl,2-acetyl-6-methoxy naphthalene,6-methoxy-2-acetyl naphthalene
IUPAC Name 1-(6-methoxynaphthalen-2-yl)ethanone
InChI Key GGWCZBGAIGGTDA-UHFFFAOYSA-N
Molecular Formula C13H12O2
2,698

1-Acetylnaphthalene, 97+%

CAS: 941-98-0 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00004013 InChI Key: QQLIGMASAVJVON-UHFFFAOYSA-N Synonym: 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone PubChem CID: 13663 IUPAC Name: 1-naphthalen-1-ylethanone SMILES: CC(=O)C1=CC=CC2=CC=CC=C21

PubChem CID 13663
CAS 941-98-0
Molecular Weight (g/mol) 170.211
MDL Number MFCD00004013
SMILES CC(=O)C1=CC=CC2=CC=CC=C21
Synonym 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone
IUPAC Name 1-naphthalen-1-ylethanone
InChI Key QQLIGMASAVJVON-UHFFFAOYSA-N
Molecular Formula C12H10O
2,699

2-Acetylnaphthalene, 99%

CAS: 93-08-3 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00004108 InChI Key: XSAYZAUNJMRRIR-UHFFFAOYSA-N Synonym: 2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone PubChem CID: 7122 ChEBI: CHEBI:52364 IUPAC Name: 1-naphthalen-2-ylethanone SMILES: CC(=O)C1=CC2=CC=CC=C2C=C1

PubChem CID 7122
CAS 93-08-3
Molecular Weight (g/mol) 170.211
ChEBI CHEBI:52364
MDL Number MFCD00004108
SMILES CC(=O)C1=CC2=CC=CC=C2C=C1
Synonym 2-acetylnaphthalene,2-acetonaphthone,2'-acetonaphthone,methyl 2-naphthyl ketone,acetonaphthone,1-naphthalen-2-yl ethanone,1-2-naphthyl ethanone,ethanone, 1-2-naphthalenyl,oranger cyrstals,2-naphthyl methyl ketone
IUPAC Name 1-naphthalen-2-ylethanone
InChI Key XSAYZAUNJMRRIR-UHFFFAOYSA-N
Molecular Formula C12H10O
2,700

6-Acetyl-2(3H)-benzothiazolone, 97%

CAS: 133044-44-7 Molecular Formula: C9H7NO2S Molecular Weight (g/mol): 193.22 MDL Number: MFCD02660572 InChI Key: UFRAIEFXNRTICG-UHFFFAOYSA-N Synonym: 6-acetyl-2 3h-benzothiazolone,6-acetylbenzo d thiazol-2 3h-one,1-2-hydroxybenzo d thiazol-6-yl ethanone,6-acetyl-1,3-benzothiazol-2 3h-one,2 3h-benzothiazolone,6-acetyl-9ci,pubchem21732,6-acetyl-3h-benzthiazole-2-one,6-acetyl-3h-benzothiazol-2-one,6-acetylbenzothiazol-2 3h-one,6-acetyl-2-benzothiazolone PubChem CID: 689053 IUPAC Name: 6-acetyl-3H-1,3-benzothiazol-2-one SMILES: CC(=O)C1=CC2=C(C=C1)NC(=O)S2

PubChem CID 689053
CAS 133044-44-7
Molecular Weight (g/mol) 193.22
MDL Number MFCD02660572
SMILES CC(=O)C1=CC2=C(C=C1)NC(=O)S2
Synonym 6-acetyl-2 3h-benzothiazolone,6-acetylbenzo d thiazol-2 3h-one,1-2-hydroxybenzo d thiazol-6-yl ethanone,6-acetyl-1,3-benzothiazol-2 3h-one,2 3h-benzothiazolone,6-acetyl-9ci,pubchem21732,6-acetyl-3h-benzthiazole-2-one,6-acetyl-3h-benzothiazol-2-one,6-acetylbenzothiazol-2 3h-one,6-acetyl-2-benzothiazolone
IUPAC Name 6-acetyl-3H-1,3-benzothiazol-2-one
InChI Key UFRAIEFXNRTICG-UHFFFAOYSA-N
Molecular Formula C9H7NO2S