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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.
Hydroxybenzoic Acid Derivatives (18,478)
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3,226 – 3,240 of 64,662 results
3,226
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2-Bromo-2-nitro-1,3-propanediol, 98.0-100.5%, Spectrum™ Chemical
SDP

CAS: 52-51-7 Molecular Formula: C3H6BrNO4 Molecular Weight (g/mol): 199.99 InChI Key: LVDKZNITIUWNER-UHFFFAOYSA-N IUPAC Name: 2-bromo-2-nitropropane-1,3-diol SMILES: OCC(Br)(CO)[N+]([O-])=O

CAS 52-51-7
Molecular Weight (g/mol) 199.99
SMILES OCC(Br)(CO)[N+]([O-])=O
IUPAC Name 2-bromo-2-nitropropane-1,3-diol
InChI Key LVDKZNITIUWNER-UHFFFAOYSA-N
Molecular Formula C3H6BrNO4
3,227
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3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid, 98%

CAS: 162401-62-9 Molecular Formula: C12H12F2O4 Molecular Weight (g/mol): 258.221 MDL Number: MFCD04621687 InChI Key: IGFDIFLMMLWKKY-UHFFFAOYSA-N Synonym: 3-cyclopropylmethoxy-4-difluoromethoxy benzoic acid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,benzoic acid, 3-cyclopropylmethoxy-4-difluoromethoxy,roflumilast intermediate,roflumilast intermediate b,3-cyclopropylmethoxy-4-difluoromethoxybenzoicacid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,3-cyclopropylmethoxy 4-difluoromethoxy benzoic acid PubChem CID: 2394006 IUPAC Name: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid SMILES: C1CC1COC2=C(C=CC(=C2)C(=O)O)OC(F)F

PubChem CID 2394006
CAS 162401-62-9
Molecular Weight (g/mol) 258.221
MDL Number MFCD04621687
SMILES C1CC1COC2=C(C=CC(=C2)C(=O)O)OC(F)F
Synonym 3-cyclopropylmethoxy-4-difluoromethoxy benzoic acid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,benzoic acid, 3-cyclopropylmethoxy-4-difluoromethoxy,roflumilast intermediate,roflumilast intermediate b,3-cyclopropylmethoxy-4-difluoromethoxybenzoicacid,3-cyclopropylmethoxy-4-difluoromethoxy-benzoic acid,3-cyclopropylmethoxy 4-difluoromethoxy benzoic acid
IUPAC Name 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid
InChI Key IGFDIFLMMLWKKY-UHFFFAOYSA-N
Molecular Formula C12H12F2O4
3,228
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4'-Methylacetanilide, 98+%

CAS: 103-89-9 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD00008677 InChI Key: YICAMJWHIUMFDI-UHFFFAOYSA-N Synonym: 4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide PubChem CID: 7684 IUPAC Name: N-(4-methylphenyl)acetamide SMILES: CC1=CC=C(C=C1)NC(=O)C

PubChem CID 7684
CAS 103-89-9
Molecular Weight (g/mol) 149.193
MDL Number MFCD00008677
SMILES CC1=CC=C(C=C1)NC(=O)C
Synonym 4'-methylacetanilide,p-acetotoluidide,n-4-methylphenyl acetamide,4-methylacetanilide,n-acetyl-p-toluidine,p-acetotoluide,acetyl-p-toluidine,p-acetotoluidine,acetamide, n-4-methylphenyl,4-acetotoluide
IUPAC Name N-(4-methylphenyl)acetamide
InChI Key YICAMJWHIUMFDI-UHFFFAOYSA-N
Molecular Formula C9H11NO
3,229
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3,4-Dimethoxybenzoic acid, 99+%

CAS: 93-07-2 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002500 InChI Key: DAUAQNGYDSHRET-UHFFFAOYSA-N Synonym: veratric acid,benzoic acid, 3,4-dimethoxy,dimethylprotocatechuic acid,veratrylic acid,3,4-dimethylprotocatechuic acid,veratrumenoic acid,3,4-dimethoxy-benzoic acid,unii-1yy04e7rr4,3,4-dimethoxybenzoes PubChem CID: 7121 ChEBI: CHEBI:296881 IUPAC Name: 3,4-dimethoxybenzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)OC

PubChem CID 7121
CAS 93-07-2
Molecular Weight (g/mol) 182.175
ChEBI CHEBI:296881
MDL Number MFCD00002500
SMILES COC1=C(C=C(C=C1)C(=O)O)OC
Synonym veratric acid,benzoic acid, 3,4-dimethoxy,dimethylprotocatechuic acid,veratrylic acid,3,4-dimethylprotocatechuic acid,veratrumenoic acid,3,4-dimethoxy-benzoic acid,unii-1yy04e7rr4,3,4-dimethoxybenzoes
IUPAC Name 3,4-dimethoxybenzoic acid
InChI Key DAUAQNGYDSHRET-UHFFFAOYSA-N
Molecular Formula C9H10O4
3,230
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1-Bromo-2-chloro-4-nitrobenzene, 98%

CAS: 29682-39-1 Molecular Formula: C6H3BrClNO2 Molecular Weight (g/mol): 236.449 MDL Number: MFCD00051514 InChI Key: YKSXEJZFIQAUHJ-UHFFFAOYSA-N Synonym: 4-bromo-3-chloronitrobenzene,benzene,1-bromo-2-chloro-4-nitro,pubchem22601,acmc-209vlc,2-chloro-4-nitro-bromobenzene,4-bromo-3-chloro-nitrobenzene,bromo-2-chloro-4-nitrobenzene,1-bromanyl-2-chloranyl-4-nitro-benzene PubChem CID: 34667 IUPAC Name: 1-bromo-2-chloro-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)Br

PubChem CID 34667
CAS 29682-39-1
Molecular Weight (g/mol) 236.449
MDL Number MFCD00051514
SMILES C1=CC(=C(C=C1[N+](=O)[O-])Cl)Br
Synonym 4-bromo-3-chloronitrobenzene,benzene,1-bromo-2-chloro-4-nitro,pubchem22601,acmc-209vlc,2-chloro-4-nitro-bromobenzene,4-bromo-3-chloro-nitrobenzene,bromo-2-chloro-4-nitrobenzene,1-bromanyl-2-chloranyl-4-nitro-benzene
IUPAC Name 1-bromo-2-chloro-4-nitrobenzene
InChI Key YKSXEJZFIQAUHJ-UHFFFAOYSA-N
Molecular Formula C6H3BrClNO2
3,231
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Octocrylene, 95%, Spectrum™ Chemical
SDP

CAS: 6197-30-4 Molecular Formula: C24H27NO2 Molecular Weight (g/mol): 361.49 MDL Number: MFCD00059260 InChI Key: FMJSMJQBSVNSBF-UHFFFAOYNA-N IUPAC Name: 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate SMILES: CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1

CAS 6197-30-4
Molecular Weight (g/mol) 361.49
MDL Number MFCD00059260
SMILES CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate
InChI Key FMJSMJQBSVNSBF-UHFFFAOYNA-N
Molecular Formula C24H27NO2
3,232
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Benzenesulfonamide, 98+%

CAS: 98-10-2 Molecular Formula: C6H7NO2S Molecular Weight (g/mol): 157.187 MDL Number: MFCD00007930 InChI Key: KHBQMWCZKVMBLN-UHFFFAOYSA-N Synonym: benzenesulphonamide,benzosulfonamide,benzolsulfonamide,phenyl sulfonamide,benzene sulfonamide,phenylsulfonamide,m and b 7973,chembl27601,benzolsulfonamid,benzensulfonamide PubChem CID: 7370 IUPAC Name: benzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)N

PubChem CID 7370
CAS 98-10-2
Molecular Weight (g/mol) 157.187
MDL Number MFCD00007930
SMILES C1=CC=C(C=C1)S(=O)(=O)N
Synonym benzenesulphonamide,benzosulfonamide,benzolsulfonamide,phenyl sulfonamide,benzene sulfonamide,phenylsulfonamide,m and b 7973,chembl27601,benzolsulfonamid,benzensulfonamide
IUPAC Name benzenesulfonamide
InChI Key KHBQMWCZKVMBLN-UHFFFAOYSA-N
Molecular Formula C6H7NO2S
3,233

p-Aminobenzoic Acid, 99+%, MP Biomedicals

CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O

PubChem CID 978
CAS 150-13-0
Molecular Weight (g/mol) 137.14
ChEBI CHEBI:30753
MDL Number MFCD00007894
SMILES NC1=CC=C(C=C1)C(O)=O
Synonym p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino
IUPAC Name 4-aminobenzoic acid
InChI Key ALYNCZNDIQEVRV-UHFFFAOYSA-N
Molecular Formula C7H7NO2
3,234
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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
3,235
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2,4-Dibromo-1-fluorobenzene, 98%, Thermo Scientific™

CAS: 1435-53-6 Molecular Formula: C6H3Br2F Molecular Weight (g/mol): 253.90 MDL Number: MFCD00000283 InChI Key: MKHDDTWHDFVYDQ-UHFFFAOYSA-N Synonym: 2,4-dibromofluorobenzene,1,3-dibromo-4-fluorobenzene,1-fluoro-2,4-dibromobenzene,benzene, 2,4-dibromo-1-fluoro,pubchem3446,acmc-209cqz,1,3-dibromo-5-fluoro,intermediates-zcf02097,ksc494g9j PubChem CID: 15034 IUPAC Name: 2,4-dibromo-1-fluorobenzene SMILES: FC1=CC=C(Br)C=C1Br

PubChem CID 15034
CAS 1435-53-6
Molecular Weight (g/mol) 253.90
MDL Number MFCD00000283
SMILES FC1=CC=C(Br)C=C1Br
Synonym 2,4-dibromofluorobenzene,1,3-dibromo-4-fluorobenzene,1-fluoro-2,4-dibromobenzene,benzene, 2,4-dibromo-1-fluoro,pubchem3446,acmc-209cqz,1,3-dibromo-5-fluoro,intermediates-zcf02097,ksc494g9j
IUPAC Name 2,4-dibromo-1-fluorobenzene
InChI Key MKHDDTWHDFVYDQ-UHFFFAOYSA-N
Molecular Formula C6H3Br2F
3,236
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5-Bromo-2-chloroaniline, 98%

CAS: 60811-17-8 Molecular Formula: C6H5BrClN Molecular Weight (g/mol): 206.47 MDL Number: MFCD06796283 InChI Key: UGOLEPGQWYPIBR-UHFFFAOYSA-N Synonym: 2-chloro-5-bromoaniline,3-bromo-6-chloroaniline,5-bromo-2-chlorophenylamine,benzenamine, 5-bromo-2-chloro,5-bromo-2-chloro-aniline,5-bromo-2-chloro-phenylamine,5-bromo-2-chloro aniline,pubchem3132,5-bromo-2-chlorobenzenamine,ksc493o4j PubChem CID: 3830731 IUPAC Name: 5-bromo-2-chloroaniline SMILES: NC1=CC(Br)=CC=C1Cl

PubChem CID 3830731
CAS 60811-17-8
Molecular Weight (g/mol) 206.47
MDL Number MFCD06796283
SMILES NC1=CC(Br)=CC=C1Cl
Synonym 2-chloro-5-bromoaniline,3-bromo-6-chloroaniline,5-bromo-2-chlorophenylamine,benzenamine, 5-bromo-2-chloro,5-bromo-2-chloro-aniline,5-bromo-2-chloro-phenylamine,5-bromo-2-chloro aniline,pubchem3132,5-bromo-2-chlorobenzenamine,ksc493o4j
IUPAC Name 5-bromo-2-chloroaniline
InChI Key UGOLEPGQWYPIBR-UHFFFAOYSA-N
Molecular Formula C6H5BrClN
3,237
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(1-Dodecyl)triphenylphosphonium bromide, 98+%

CAS: 15510-55-1 Molecular Formula: C30H40BrP Molecular Weight (g/mol): 511.53 MDL Number: MFCD00031546 InChI Key: NSIFOGPAKNSGNW-UHFFFAOYSA-M Synonym: dodecyltriphenylphosphonium bromide,unii-2oqv5uaf87,n-dodecyl triphenylphosphonium bromide,phosphonium, dodecyltriphenyl-, bromide,1-dodecyl triphenylphosphonium bromide,2oqv5uaf87,dodecyl triphenyl phosphoniumbromide,c12tppbr,n-c12h25pph3br,acmc-1btp1 PubChem CID: 84955 ChEBI: CHEBI:82638 IUPAC Name: dodecyl(triphenyl)phosphanium;bromide SMILES: [Br-].CCCCCCCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 84955
CAS 15510-55-1
Molecular Weight (g/mol) 511.53
ChEBI CHEBI:82638
MDL Number MFCD00031546
SMILES [Br-].CCCCCCCCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym dodecyltriphenylphosphonium bromide,unii-2oqv5uaf87,n-dodecyl triphenylphosphonium bromide,phosphonium, dodecyltriphenyl-, bromide,1-dodecyl triphenylphosphonium bromide,2oqv5uaf87,dodecyl triphenyl phosphoniumbromide,c12tppbr,n-c12h25pph3br,acmc-1btp1
IUPAC Name dodecyl(triphenyl)phosphanium;bromide
InChI Key NSIFOGPAKNSGNW-UHFFFAOYSA-M
Molecular Formula C30H40BrP
3,238
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2-Hydroxybenzhydrazide, 98+%

CAS: 936-02-7 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007599 InChI Key: XSXYESVZDBAKKT-UHFFFAOYSA-N Synonym: salicylhydrazide,2-hydroxybenzhydrazide,salicyl hydrazide,salicyloyl hydrazide,salicylic acid hydrazide,salicylic hydrazide,salicyloylhydrazine,salicylohydrazide,o-hydroxybenzhydrazide,o-hydroxybenzoylhydrazide PubChem CID: 13637 IUPAC Name: 2-hydroxybenzohydrazide SMILES: C1=CC=C(C(=C1)C(=O)NN)O

PubChem CID 13637
CAS 936-02-7
Molecular Weight (g/mol) 152.153
MDL Number MFCD00007599
SMILES C1=CC=C(C(=C1)C(=O)NN)O
Synonym salicylhydrazide,2-hydroxybenzhydrazide,salicyl hydrazide,salicyloyl hydrazide,salicylic acid hydrazide,salicylic hydrazide,salicyloylhydrazine,salicylohydrazide,o-hydroxybenzhydrazide,o-hydroxybenzoylhydrazide
IUPAC Name 2-hydroxybenzohydrazide
InChI Key XSXYESVZDBAKKT-UHFFFAOYSA-N
Molecular Formula C7H8N2O2
3,239

3-(1,3-Thiazol-2-yl)benzoic acid, ≥97%, Thermo Scientific™

CAS: 847956-27-8 Molecular Formula: C10H7NO2S Molecular Weight (g/mol): 205.231 MDL Number: MFCD06797800 InChI Key: BLFSSABBFANDKK-UHFFFAOYSA-N PubChem CID: 21075087 IUPAC Name: 3-(1,3-thiazol-2-yl)benzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C2=NC=CS2

PubChem CID 21075087
CAS 847956-27-8
Molecular Weight (g/mol) 205.231
MDL Number MFCD06797800
SMILES C1=CC(=CC(=C1)C(=O)O)C2=NC=CS2
IUPAC Name 3-(1,3-thiazol-2-yl)benzoic acid
InChI Key BLFSSABBFANDKK-UHFFFAOYSA-N
Molecular Formula C10H7NO2S
3,240
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4-Cyanobenzoic acid, 99%

CAS: 619-65-8 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00002528 InChI Key: ADCUEPOHPCPMCE-UHFFFAOYSA-N Synonym: p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid PubChem CID: 12087 IUPAC Name: 4-cyanobenzoic acid SMILES: C1=CC(=CC=C1C#N)C(=O)O

PubChem CID 12087
CAS 619-65-8
Molecular Weight (g/mol) 147.13
MDL Number MFCD00002528
SMILES C1=CC(=CC=C1C#N)C(=O)O
Synonym p-cyanobenzoic acid,benzoic acid, 4-cyano,p-carboxybenzonitrile,4-carboxybenzonitrile,benzoic acid, p-cyano,4-cyano-benzoic acid,4-cyano benzoic acid,benzoicacid, 4-cyano,4-cyanobenzoicacid,para-cyanobenzoic acid
IUPAC Name 4-cyanobenzoic acid
InChI Key ADCUEPOHPCPMCE-UHFFFAOYSA-N
Molecular Formula C8H5NO2