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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 (44,044)
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631 – 645 of 119,922 results
631

Benzyl alcohol, for analysis

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
632
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N-Phenylthiourea, 97%

CAS: 103-85-5 Molecular Formula: C7H8N2S Molecular Weight (g/mol): 152.22 MDL Number: MFCD00004933 InChI Key: FULZLIGZKMKICU-UHFFFAOYSA-N Synonym: n-phenylthiourea,1-phenylthiourea,1-phenyl-2-thiourea,phenylthiocarbamide,thiourea, phenyl,phenyl-2-thiourea,fenylthiomocovina,urea, 1-phenyl-2-thio,rcra waste number p093,phenyl-thiourea PubChem CID: 676454 ChEBI: CHEBI:46261 IUPAC Name: phenylthiourea SMILES: NC(=S)NC1=CC=CC=C1

PubChem CID 676454
CAS 103-85-5
Molecular Weight (g/mol) 152.22
ChEBI CHEBI:46261
MDL Number MFCD00004933
SMILES NC(=S)NC1=CC=CC=C1
Synonym n-phenylthiourea,1-phenylthiourea,1-phenyl-2-thiourea,phenylthiocarbamide,thiourea, phenyl,phenyl-2-thiourea,fenylthiomocovina,urea, 1-phenyl-2-thio,rcra waste number p093,phenyl-thiourea
IUPAC Name phenylthiourea
InChI Key FULZLIGZKMKICU-UHFFFAOYSA-N
Molecular Formula C7H8N2S
633
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2,2'-Bis(trifluoromethyl)benzidine, 97%

CAS: 341-58-2 Molecular Formula: C14H10F6N2 Molecular Weight (g/mol): 320.24 MDL Number: MFCD00190155 InChI Key: NVKGJHAQGWCWDI-UHFFFAOYSA-N Synonym: 2,2'-bis trifluoromethyl benzidine,2,2'-bis trifluoromethyl-1,1'-biphenyl-4,4'-diamine,4-4-amino-2-trifluoromethyl phenyl-3-trifluoromethyl aniline,2,2'-bis trifluoromethyl-4,4'-diaminobiphenyl,2,2'-bis-trifluoromethyl-biphenyl-4,4'-diamine,tfmb,2,2'-bis trifluoromethyl-4,4'-biphenyldiamine,4,4'-diamino-2,2'-bis trifluoromethyl biphenyl,1,1'-biphenyl-4,4'-diamine, 2,2'-bis trifluoromethyl,4-4-azanyl-2-trifluoromethyl phenyl-3-trifluoromethyl aniline PubChem CID: 629349 IUPAC Name: 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline SMILES: NC1=CC(=C(C=C1)C1=C(C=C(N)C=C1)C(F)(F)F)C(F)(F)F

PubChem CID 629349
CAS 341-58-2
Molecular Weight (g/mol) 320.24
MDL Number MFCD00190155
SMILES NC1=CC(=C(C=C1)C1=C(C=C(N)C=C1)C(F)(F)F)C(F)(F)F
Synonym 2,2'-bis trifluoromethyl benzidine,2,2'-bis trifluoromethyl-1,1'-biphenyl-4,4'-diamine,4-4-amino-2-trifluoromethyl phenyl-3-trifluoromethyl aniline,2,2'-bis trifluoromethyl-4,4'-diaminobiphenyl,2,2'-bis-trifluoromethyl-biphenyl-4,4'-diamine,tfmb,2,2'-bis trifluoromethyl-4,4'-biphenyldiamine,4,4'-diamino-2,2'-bis trifluoromethyl biphenyl,1,1'-biphenyl-4,4'-diamine, 2,2'-bis trifluoromethyl,4-4-azanyl-2-trifluoromethyl phenyl-3-trifluoromethyl aniline
IUPAC Name 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
InChI Key NVKGJHAQGWCWDI-UHFFFAOYSA-N
Molecular Formula C14H10F6N2
634
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3,5-Bis(trifluoromethyl)thiobenzamide, 97%

CAS: 317319-15-6 Molecular Formula: C9H5F6NS Molecular Weight (g/mol): 273.20 MDL Number: MFCD00278692 InChI Key: OWYYZIVORPIBPZ-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl thiobenzamide,3,5-di trifluoromethyl benzene-1-carbothioamide,3,5-bis trifluoromethyl benzenecarbothioamide,3,5-bis trifluoromethyl benzothioamide,benzenecarbothioamide,3,5-bis trifluoromethyl,acmc-20ands,maybridge1_003450,3,5-bis-trifluoromethyl-thiobenzamide,3,5-bis trifluoromethyl benzene-1-carbothioamide PubChem CID: 2806924 IUPAC Name: 3,5-bis(trifluoromethyl)benzenecarbothioamide SMILES: NC(=S)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

PubChem CID 2806924
CAS 317319-15-6
Molecular Weight (g/mol) 273.20
MDL Number MFCD00278692
SMILES NC(=S)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonym 3,5-bis trifluoromethyl thiobenzamide,3,5-di trifluoromethyl benzene-1-carbothioamide,3,5-bis trifluoromethyl benzenecarbothioamide,3,5-bis trifluoromethyl benzothioamide,benzenecarbothioamide,3,5-bis trifluoromethyl,acmc-20ands,maybridge1_003450,3,5-bis-trifluoromethyl-thiobenzamide,3,5-bis trifluoromethyl benzene-1-carbothioamide
IUPAC Name 3,5-bis(trifluoromethyl)benzenecarbothioamide
InChI Key OWYYZIVORPIBPZ-UHFFFAOYSA-N
Molecular Formula C9H5F6NS
635
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3-(Methylthio)benzoic acid, 97%

CAS: 825-99-0 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00156993 InChI Key: PZGADOOBMVLBJE-UHFFFAOYSA-N Synonym: 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 PubChem CID: 220329 IUPAC Name: 3-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC(=C1)C(=O)O

PubChem CID 220329
CAS 825-99-0
Molecular Weight (g/mol) 168.21
MDL Number MFCD00156993
SMILES CSC1=CC=CC(=C1)C(=O)O
Synonym 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679
IUPAC Name 3-methylsulfanylbenzoic acid
InChI Key PZGADOOBMVLBJE-UHFFFAOYSA-N
Molecular Formula C8H8O2S
636
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Methyl 4-fluoro-2-methylbenzoate, 98%

CAS: 174403-69-1 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD06203790 InChI Key: ZQFCTCYDRQFPBU-UHFFFAOYSA-N Synonym: benzoic acid, 4-fluoro-2-methyl-, methyl ester,4-fluoro-2-methylbenzoic acid methyl ester,rarechem al bf 0506,methyl=4-fluoro-2-methylbenzoate,4-fluoro-2-methyl benzoic acid methyl ester,4-fluoro-2-methyl-benzoic acid methyl ester,benzoic acid,4-fluoro-2-methyl-,methyl ester PubChem CID: 2782181 IUPAC Name: methyl 4-fluoro-2-methylbenzoate SMILES: COC(=O)C1=C(C)C=C(F)C=C1

PubChem CID 2782181
CAS 174403-69-1
Molecular Weight (g/mol) 168.17
MDL Number MFCD06203790
SMILES COC(=O)C1=C(C)C=C(F)C=C1
Synonym benzoic acid, 4-fluoro-2-methyl-, methyl ester,4-fluoro-2-methylbenzoic acid methyl ester,rarechem al bf 0506,methyl=4-fluoro-2-methylbenzoate,4-fluoro-2-methyl benzoic acid methyl ester,4-fluoro-2-methyl-benzoic acid methyl ester,benzoic acid,4-fluoro-2-methyl-,methyl ester
IUPAC Name methyl 4-fluoro-2-methylbenzoate
InChI Key ZQFCTCYDRQFPBU-UHFFFAOYSA-N
Molecular Formula C9H9FO2
637
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2,5-Di-tert-butylhydroquinone, 99%

CAS: 88-58-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008825 InChI Key: JZODKRWQWUWGCD-UHFFFAOYSA-N Synonym: 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone PubChem CID: 2374 ChEBI: CHEBI:41094 IUPAC Name: 2,5-ditert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C

PubChem CID 2374
CAS 88-58-4
Molecular Weight (g/mol) 222.33
ChEBI CHEBI:41094
MDL Number MFCD00008825
SMILES CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C
Synonym 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone
IUPAC Name 2,5-ditert-butylbenzene-1,4-diol
InChI Key JZODKRWQWUWGCD-UHFFFAOYSA-N
Molecular Formula C14H22O2
638
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2-Methoxyphenyl isothiocyanate, 98%

CAS: 3288-04-8 MDL Number: MFCD00011675

CAS 3288-04-8
MDL Number MFCD00011675
639
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3,5-Bis(trifluoromethyl)benzeneboronic acid, 97+%

CAS: 73852-19-4 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.93 MDL Number: MFCD00051850 InChI Key: BPTABBGLHGBJQR-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol PubChem CID: 156265 IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

PubChem CID 156265
CAS 73852-19-4
Molecular Weight (g/mol) 257.93
MDL Number MFCD00051850
SMILES OB(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
Synonym 3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid,3,5-bis trifluoromethyl phenylboroic acid,btfpba,3,5-bis trifluoromethyl phenyl boranediol
IUPAC Name [3,5-bis(trifluoromethyl)phenyl]boronic acid
InChI Key BPTABBGLHGBJQR-UHFFFAOYSA-N
Molecular Formula C8H5BF6O2
640

3-Chlorobenzoyl chloride, 99+%

CAS: 618-46-2 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00000671 InChI Key: WHIHIKVIWVIIER-UHFFFAOYSA-N Synonym: m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride PubChem CID: 69252 IUPAC Name: 3-chlorobenzoyl chloride SMILES: ClC(=O)C1=CC=CC(Cl)=C1

PubChem CID 69252
CAS 618-46-2
Molecular Weight (g/mol) 175.01
MDL Number MFCD00000671
SMILES ClC(=O)C1=CC=CC(Cl)=C1
Synonym m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride
IUPAC Name 3-chlorobenzoyl chloride
InChI Key WHIHIKVIWVIIER-UHFFFAOYSA-N
Molecular Formula C7H4Cl2O
641
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2-chloro-6-fluorobenzaldehyde, 95%

CAS: 387-45-1 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00003306 InChI Key: OACPOWYLLGHGCR-UHFFFAOYSA-N Synonym: benzaldehyde, 2-chloro-6-fluoro,2,6-cfad,2-chloro-6-fluoro-benzaldehyd,unii-51yj9bw8w7,2-chloro-6-fluoro benzaldehyde,2-chloro-6-fluoro-benzaldehyde,2-fluoro-6-chloro benzaldehyde,6-chloro-2-fluorobenzaldehyde,pubchem1434,acmc-209j1r PubChem CID: 67847 IUPAC Name: 2-chloro-6-fluorobenzaldehyde SMILES: FC1=CC=CC(Cl)=C1C=O

PubChem CID 67847
CAS 387-45-1
Molecular Weight (g/mol) 158.56
MDL Number MFCD00003306
SMILES FC1=CC=CC(Cl)=C1C=O
Synonym benzaldehyde, 2-chloro-6-fluoro,2,6-cfad,2-chloro-6-fluoro-benzaldehyd,unii-51yj9bw8w7,2-chloro-6-fluoro benzaldehyde,2-chloro-6-fluoro-benzaldehyde,2-fluoro-6-chloro benzaldehyde,6-chloro-2-fluorobenzaldehyde,pubchem1434,acmc-209j1r
IUPAC Name 2-chloro-6-fluorobenzaldehyde
InChI Key OACPOWYLLGHGCR-UHFFFAOYSA-N
Molecular Formula C7H4ClFO
642
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2-(4-Fluorophenoxy)benzaldehyde, 97%

CAS: 320423-61-8 Molecular Formula: C13H9FO2 Molecular Weight (g/mol): 216.211 MDL Number: MFCD01568770 InChI Key: RZJFZXRBXCJPTA-UHFFFAOYSA-N Synonym: 2-4-fluorophenoxy benzaldehyde,2-4-fluorophenoxy benzenecarbaldehyde,4-fluorophenoxybenzaldehyde,fluorophenoxybenzenecarbaldehyde,benzaldehyde,2-4-fluorophenoxy PubChem CID: 2782988 IUPAC Name: 2-(4-fluorophenoxy)benzaldehyde SMILES: C1=CC=C(C(=C1)C=O)OC2=CC=C(C=C2)F

PubChem CID 2782988
CAS 320423-61-8
Molecular Weight (g/mol) 216.211
MDL Number MFCD01568770
SMILES C1=CC=C(C(=C1)C=O)OC2=CC=C(C=C2)F
Synonym 2-4-fluorophenoxy benzaldehyde,2-4-fluorophenoxy benzenecarbaldehyde,4-fluorophenoxybenzaldehyde,fluorophenoxybenzenecarbaldehyde,benzaldehyde,2-4-fluorophenoxy
IUPAC Name 2-(4-fluorophenoxy)benzaldehyde
InChI Key RZJFZXRBXCJPTA-UHFFFAOYSA-N
Molecular Formula C13H9FO2
643
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Benzoic Acid, Crystal, EP, BP, JP, USP, 99.5-100.5%, Spectrum™ Chemical
SDP

CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N IUPAC Name: benzoic acid SMILES: OC(=O)C1=CC=CC=C1

CAS 65-85-0
Molecular Weight (g/mol) 122.12
SMILES OC(=O)C1=CC=CC=C1
IUPAC Name benzoic acid
InChI Key WPYMKLBDIGXBTP-UHFFFAOYSA-N
Molecular Formula C7H6O2
644
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4-Hydroxyphenoxyacetic acid, 98+%

CAS: 1878-84-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00014362 InChI Key: PKGWLCZTTHWKIZ-UHFFFAOYSA-N Synonym: 4-hydroxyphenoxyacetic acid,4-hydroxyphenoxy acetic acid,2-4-hydroxyphenoxy acetic acid,4-hydroxypheoxyacetate,acetic acid, 4-hydroxyphenoxy,4-hydroxy-phenoxy-acetic acid,p-hydroxyphenoxyacetic acid,acetic acid, 2-4-hydroxyphenoxy,acetic acid, p-hydroxyphenoxy,4-carboxymethoxy phenol PubChem CID: 15881 ChEBI: CHEBI:1881 IUPAC Name: 2-(4-hydroxyphenoxy)acetic acid SMILES: C1=CC(=CC=C1O)OCC(=O)O

PubChem CID 15881
CAS 1878-84-8
Molecular Weight (g/mol) 168.148
ChEBI CHEBI:1881
MDL Number MFCD00014362
SMILES C1=CC(=CC=C1O)OCC(=O)O
Synonym 4-hydroxyphenoxyacetic acid,4-hydroxyphenoxy acetic acid,2-4-hydroxyphenoxy acetic acid,4-hydroxypheoxyacetate,acetic acid, 4-hydroxyphenoxy,4-hydroxy-phenoxy-acetic acid,p-hydroxyphenoxyacetic acid,acetic acid, 2-4-hydroxyphenoxy,acetic acid, p-hydroxyphenoxy,4-carboxymethoxy phenol
IUPAC Name 2-(4-hydroxyphenoxy)acetic acid
InChI Key PKGWLCZTTHWKIZ-UHFFFAOYSA-N
Molecular Formula C8H8O4
645
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4-[(4-Aminophenyl)azo]-2-chlorophenol, 95%

CAS: 669092-47-1 Molecular Formula: C12H10ClN3O Molecular Weight (g/mol): 247.682 MDL Number: MFCD26401540 InChI Key: NWMGUTQRHABSPF-UHFFFAOYSA-N Synonym: e-4-4-aminophenyl diazenyl-2-chlorophenol,4-e-2-4-aminophenyl diazen-1-yl-2-chlorophenol PubChem CID: 86339119 IUPAC Name: 4-[(4-aminophenyl)hydrazinylidene]-2-chlorocyclohexa-2,5-dien-1-one SMILES: C1=CC(=CC=C1N)NN=C2C=CC(=O)C(=C2)Cl

PubChem CID 86339119
CAS 669092-47-1
Molecular Weight (g/mol) 247.682
MDL Number MFCD26401540
SMILES C1=CC(=CC=C1N)NN=C2C=CC(=O)C(=C2)Cl
Synonym e-4-4-aminophenyl diazenyl-2-chlorophenol,4-e-2-4-aminophenyl diazen-1-yl-2-chlorophenol
IUPAC Name 4-[(4-aminophenyl)hydrazinylidene]-2-chlorocyclohexa-2,5-dien-1-one
InChI Key NWMGUTQRHABSPF-UHFFFAOYSA-N
Molecular Formula C12H10ClN3O