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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 (18,864)
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3,556 – 3,570 of 65,514 results
3,556
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(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%

CAS: 17257-71-5 Molecular Formula: C10H8F3O3 Molecular Weight (g/mol): 233.17 MDL Number: MFCD00064200 InChI Key: JJYKJUXBWFATTE-VIFPVBQESA-M Synonym: s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid PubChem CID: 6992788 IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid SMILES: CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F

PubChem CID 6992788
CAS 17257-71-5
Molecular Weight (g/mol) 233.17
MDL Number MFCD00064200
SMILES CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F
Synonym s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid
IUPAC Name (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
InChI Key JJYKJUXBWFATTE-VIFPVBQESA-M
Molecular Formula C10H8F3O3
3,557
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2,5-Dimethoxybenzonitrile, 98%

CAS: 5312-97-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.176 MDL Number: MFCD00016375 InChI Key: HWAMEJIMXIXLIH-UHFFFAOYSA-N PubChem CID: 79200 IUPAC Name: 2,5-dimethoxybenzonitrile SMILES: COC1=CC(=C(C=C1)OC)C#N

PubChem CID 79200
CAS 5312-97-0
Molecular Weight (g/mol) 163.176
MDL Number MFCD00016375
SMILES COC1=CC(=C(C=C1)OC)C#N
IUPAC Name 2,5-dimethoxybenzonitrile
InChI Key HWAMEJIMXIXLIH-UHFFFAOYSA-N
Molecular Formula C9H9NO2
3,558
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3,3',5,5'-Tetramethylbenzidine dihydrochloride hydrate, 98+%

CAS: 207738-08-7 Molecular Formula: C16H22Cl2N2 Molecular Weight (g/mol): 313.27 MDL Number: MFCD00150104 InChI Key: NYNRGZULARUZCC-UHFFFAOYSA-N Synonym: 3,3',5,5'-tetramethylbenzidine dihydrochloride dihydrate,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride dihydrate,3,3',5,5'-tetramethylbenzidine dihydrochloride hydrate,pubchem9044,tetramethylbenzidine dihydrate dihydrochloride PubChem CID: 19836601 IUPAC Name: 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;dihydrate;dihydrochloride SMILES: Cl.Cl.CC1=CC(=CC(C)=C1N)C1=CC(C)=C(N)C(C)=C1

PubChem CID 19836601
CAS 207738-08-7
Molecular Weight (g/mol) 313.27
MDL Number MFCD00150104
SMILES Cl.Cl.CC1=CC(=CC(C)=C1N)C1=CC(C)=C(N)C(C)=C1
Synonym 3,3',5,5'-tetramethylbenzidine dihydrochloride dihydrate,3,3',5,5'-tetramethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride dihydrate,3,3',5,5'-tetramethylbenzidine dihydrochloride hydrate,pubchem9044,tetramethylbenzidine dihydrate dihydrochloride
IUPAC Name 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;dihydrate;dihydrochloride
InChI Key NYNRGZULARUZCC-UHFFFAOYSA-N
Molecular Formula C16H22Cl2N2
3,559
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2-Formylphenylboronic acid, 98%

CAS: 40138-16-7 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151822 InChI Key: DGUWACLYDSWXRZ-UHFFFAOYSA-N Synonym: 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid PubChem CID: 292189 IUPAC Name: (2-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1C=O

PubChem CID 292189
CAS 40138-16-7
Molecular Weight (g/mol) 149.94
MDL Number MFCD00151822
SMILES OB(O)C1=CC=CC=C1C=O
Synonym 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid
IUPAC Name (2-formylphenyl)boronic acid
InChI Key DGUWACLYDSWXRZ-UHFFFAOYSA-N
Molecular Formula C7H7BO3
3,560
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4-Fluorobenzonitrile, 99%

CAS: 1194-02-1 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.11 MDL Number: MFCD00001812 InChI Key: AEKVBBNGWBBYLL-UHFFFAOYSA-N Synonym: p-fluorobenzonitrile,benzonitrile, 4-fluoro,4-cyanofluorobenzene,p-cyanofluorobenzene,benzonitrile, p-fluoro,4-fluoro-benzonitrile,4-fluorobenzenecarbonitrile,4-fluorobenzonitril,pfbn,1-cyano-4-fluorobenzene PubChem CID: 14517 IUPAC Name: 4-fluorobenzonitrile SMILES: C1=CC(=CC=C1C#N)F

PubChem CID 14517
CAS 1194-02-1
Molecular Weight (g/mol) 121.11
MDL Number MFCD00001812
SMILES C1=CC(=CC=C1C#N)F
Synonym p-fluorobenzonitrile,benzonitrile, 4-fluoro,4-cyanofluorobenzene,p-cyanofluorobenzene,benzonitrile, p-fluoro,4-fluoro-benzonitrile,4-fluorobenzenecarbonitrile,4-fluorobenzonitril,pfbn,1-cyano-4-fluorobenzene
IUPAC Name 4-fluorobenzonitrile
InChI Key AEKVBBNGWBBYLL-UHFFFAOYSA-N
Molecular Formula C7H4FN
3,561
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4-Hydroxy-3-(trifluoromethyl)benzonitrile, 98+%

CAS: 124811-71-8 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.121 MDL Number: MFCD06797882 InChI Key: QXIFYONUKBXFTH-UHFFFAOYSA-N Synonym: 4-hydroxy-3-trifluoromethyl benzonitrile,4-hydroxy-3-trifluoromethyl-benzonitrile,pubchem4808,acmc-1c4p4,ksc514a8j,5-cyano-2-hydroxybenzotrifluoride,benzonitrile,4-hydroxy-3-trifluoromethyl,benzonitrile, 4-hydroxy-3-trifluoromethyl,4-hydroxy-3-trifluoromethyl benzenecarbonitrile PubChem CID: 2783159 IUPAC Name: 4-hydroxy-3-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1C#N)C(F)(F)F)O

PubChem CID 2783159
CAS 124811-71-8
Molecular Weight (g/mol) 187.121
MDL Number MFCD06797882
SMILES C1=CC(=C(C=C1C#N)C(F)(F)F)O
Synonym 4-hydroxy-3-trifluoromethyl benzonitrile,4-hydroxy-3-trifluoromethyl-benzonitrile,pubchem4808,acmc-1c4p4,ksc514a8j,5-cyano-2-hydroxybenzotrifluoride,benzonitrile,4-hydroxy-3-trifluoromethyl,benzonitrile, 4-hydroxy-3-trifluoromethyl,4-hydroxy-3-trifluoromethyl benzenecarbonitrile
IUPAC Name 4-hydroxy-3-(trifluoromethyl)benzonitrile
InChI Key QXIFYONUKBXFTH-UHFFFAOYSA-N
Molecular Formula C8H4F3NO
3,562
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4-tert-Butylbenzylamine, 97%

CAS: 39895-55-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.26 MDL Number: MFCD00040754 InChI Key: MPWSRGAWRAYBJK-UHFFFAOYSA-N Synonym: 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine PubChem CID: 2735655 IUPAC Name: (4-tert-butylphenyl)methanamine SMILES: CC(C)(C)C1=CC=C(C=C1)CN

PubChem CID 2735655
CAS 39895-55-1
Molecular Weight (g/mol) 163.26
MDL Number MFCD00040754
SMILES CC(C)(C)C1=CC=C(C=C1)CN
Synonym 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine
IUPAC Name (4-tert-butylphenyl)methanamine
InChI Key MPWSRGAWRAYBJK-UHFFFAOYSA-N
Molecular Formula C11H17N
3,563
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2-Chloro-3-methoxybenzoic acid, 97%

CAS: 33234-36-5 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.59 MDL Number: MFCD07784399 InChI Key: VIUDWLLKFANPLX-UHFFFAOYSA-N Synonym: benzoic acid, 2-chloro-3-methoxy,acmc-20a6cl,2-chloro-m-anisic acid,2-chloro-3-methoxybenzoicacid,2-chloro-3-methoxybenzoic acid PubChem CID: 16218063 IUPAC Name: 2-chloro-3-methoxybenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1Cl

PubChem CID 16218063
CAS 33234-36-5
Molecular Weight (g/mol) 186.59
MDL Number MFCD07784399
SMILES COC1=CC=CC(C(O)=O)=C1Cl
Synonym benzoic acid, 2-chloro-3-methoxy,acmc-20a6cl,2-chloro-m-anisic acid,2-chloro-3-methoxybenzoicacid,2-chloro-3-methoxybenzoic acid
IUPAC Name 2-chloro-3-methoxybenzoic acid
InChI Key VIUDWLLKFANPLX-UHFFFAOYSA-N
Molecular Formula C8H7ClO3
3,564
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2-Chlorobenzophenone, 99+%

CAS: 3-8-5162 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.66 MDL Number: MFCD00000558 InChI Key: VMHYWKBKHMYRNF-UHFFFAOYSA-N

CAS 3-8-5162
Molecular Weight (g/mol) 216.66
MDL Number MFCD00000558
InChI Key VMHYWKBKHMYRNF-UHFFFAOYSA-N
Molecular Formula C13H9ClO
3,565

3-[3-(chloromethyl)phenyl]-1-methyl-1H-pyrazole, Tech., Thermo Scientific™

CAS: 912569-61-0 Molecular Formula: C11H11ClN2 Molecular Weight (g/mol): 206.673 MDL Number: MFCD09702402 InChI Key: XEIKNZPKJWESHW-UHFFFAOYSA-N Synonym: 3-3-chloromethyl phenyl-1-methyl-1h-pyrazole,3-3-chloromethyl phenyl-1-methylpyrazole PubChem CID: 24229632 IUPAC Name: 3-[3-(chloromethyl)phenyl]-1-methylpyrazole SMILES: CN1C=CC(=N1)C2=CC(=CC=C2)CCl

PubChem CID 24229632
CAS 912569-61-0
Molecular Weight (g/mol) 206.673
MDL Number MFCD09702402
SMILES CN1C=CC(=N1)C2=CC(=CC=C2)CCl
Synonym 3-3-chloromethyl phenyl-1-methyl-1h-pyrazole,3-3-chloromethyl phenyl-1-methylpyrazole
IUPAC Name 3-[3-(chloromethyl)phenyl]-1-methylpyrazole
InChI Key XEIKNZPKJWESHW-UHFFFAOYSA-N
Molecular Formula C11H11ClN2
3,566
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4-Bromo-2-fluorotoluene, 99%

CAS: 51436-99-8 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.027 MDL Number: MFCD00013551 InChI Key: YZFVUQSAJMLFOZ-UHFFFAOYSA-N Synonym: 4-bromo-2-fluorotoluene,2-fluoro-4-bromotoluene,benzene, 4-bromo-2-fluoro-1-methyl,toluene,2-fluoro-4-bromo,4-bromo-2-fluoro-1-methyl-benzene,pubchem1601,acmc-1an2v,2-fluoro-4-bromo toluene,4-bromo-2-fluoro-toluene PubChem CID: 171040 IUPAC Name: 4-bromo-2-fluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)Br)F

PubChem CID 171040
CAS 51436-99-8
Molecular Weight (g/mol) 189.027
MDL Number MFCD00013551
SMILES CC1=C(C=C(C=C1)Br)F
Synonym 4-bromo-2-fluorotoluene,2-fluoro-4-bromotoluene,benzene, 4-bromo-2-fluoro-1-methyl,toluene,2-fluoro-4-bromo,4-bromo-2-fluoro-1-methyl-benzene,pubchem1601,acmc-1an2v,2-fluoro-4-bromo toluene,4-bromo-2-fluoro-toluene
IUPAC Name 4-bromo-2-fluoro-1-methylbenzene
InChI Key YZFVUQSAJMLFOZ-UHFFFAOYSA-N
Molecular Formula C7H6BrF
3,567
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4-O-Benzyl-D-glucal, 97%, Thermo Scientific Chemicals

CAS: 58871-11-7 Molecular Formula: C13H16O4 Molecular Weight (g/mol): 236.27 MDL Number: MFCD01863610 InChI Key: OIWQZGBSQDJVJN-UPJWGTAASA-N Synonym: 4-o-benzyl-d-glucal,2r,3s,4r-3-benzyloxy-2-hydroxymethyl-3,4-dihydro-2h-pyran-4-ol,4-o-benzyl-d-glucal,,1,2-dideoxy-4-o-benzyl-d-arabino-1-hexenopyranose,2r,3s,4r-2-hydroxymethyl-3-phenylmethoxy-3,4-dihydro-2h,2r,3s,4r-2-hydroxymethyl-3-phenylmethoxy-3,4-dihydro-2h-pyran-4-ol,5s,4r,6r-6-hydroxymethyl-5-phenylmethoxy-4h-5,6-dihydropyran-4-ol PubChem CID: 2734727 IUPAC Name: (2R,3S,4R)-2-(hydroxymethyl)-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-ol SMILES: OC[C@H]1OC=C[C@@H](O)[C@@H]1OCC1=CC=CC=C1

PubChem CID 2734727
CAS 58871-11-7
Molecular Weight (g/mol) 236.27
MDL Number MFCD01863610
SMILES OC[C@H]1OC=C[C@@H](O)[C@@H]1OCC1=CC=CC=C1
Synonym 4-o-benzyl-d-glucal,2r,3s,4r-3-benzyloxy-2-hydroxymethyl-3,4-dihydro-2h-pyran-4-ol,4-o-benzyl-d-glucal,,1,2-dideoxy-4-o-benzyl-d-arabino-1-hexenopyranose,2r,3s,4r-2-hydroxymethyl-3-phenylmethoxy-3,4-dihydro-2h,2r,3s,4r-2-hydroxymethyl-3-phenylmethoxy-3,4-dihydro-2h-pyran-4-ol,5s,4r,6r-6-hydroxymethyl-5-phenylmethoxy-4h-5,6-dihydropyran-4-ol
IUPAC Name (2R,3S,4R)-2-(hydroxymethyl)-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-ol
InChI Key OIWQZGBSQDJVJN-UPJWGTAASA-N
Molecular Formula C13H16O4
3,568
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2-(Bromomethyl)benzeneboronic acid, 97%

CAS: 91983-14-1 Molecular Formula: C7H8BBrO2 Molecular Weight (g/mol): 214.85 MDL Number: MFCD01318941 InChI Key: MYVJCOQGXCONPE-UHFFFAOYSA-N Synonym: 2-bromomethylphenylboronic acid,2-bromomethyl benzeneboronic acid,2-bromomethyl phenylboronic acid,2-bromomethyl phenyl boronic acid,2-bromomethylphenylboronicacid,2-boronobenzyl bromide,o-boronobenzyl bromide,2-bromomethylphenyl boronic acid,pubchem7781 PubChem CID: 2773278 IUPAC Name: [2-(bromomethyl)phenyl]boronic acid SMILES: OB(O)C1=CC=CC=C1CBr

PubChem CID 2773278
CAS 91983-14-1
Molecular Weight (g/mol) 214.85
MDL Number MFCD01318941
SMILES OB(O)C1=CC=CC=C1CBr
Synonym 2-bromomethylphenylboronic acid,2-bromomethyl benzeneboronic acid,2-bromomethyl phenylboronic acid,2-bromomethyl phenyl boronic acid,2-bromomethylphenylboronicacid,2-boronobenzyl bromide,o-boronobenzyl bromide,2-bromomethylphenyl boronic acid,pubchem7781
IUPAC Name [2-(bromomethyl)phenyl]boronic acid
InChI Key MYVJCOQGXCONPE-UHFFFAOYSA-N
Molecular Formula C7H8BBrO2
3,569

Benzyl Alcohol, BAKER ANALYZED™ Reagent, J.T. Baker™

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
3,570
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Methyl 2-bromo-5-chlorobenzoate, 98%

CAS: 27007-53-0 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.488 MDL Number: MFCD00144763 InChI Key: BIECSXCXIXHDBC-UHFFFAOYSA-N Synonym: 2-bromo-5-chlorobenzoic acid methyl ester,benzoic acid, 2-bromo-5-chloro-, methyl ester,pubchem11238,acmc-1cr8r,ksc494q3f,methyl-2-bromo-5-chlorobenzoate,methyl 2-bromo-5-chloro-benzoate,methyl 2-bromanyl-5-chloranyl-benzoate,2-bomo-5-chlorobenzoic acid methyl ester PubChem CID: 280500 IUPAC Name: methyl 2-bromo-5-chlorobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)Cl)Br

PubChem CID 280500
CAS 27007-53-0
Molecular Weight (g/mol) 249.488
MDL Number MFCD00144763
SMILES COC(=O)C1=C(C=CC(=C1)Cl)Br
Synonym 2-bromo-5-chlorobenzoic acid methyl ester,benzoic acid, 2-bromo-5-chloro-, methyl ester,pubchem11238,acmc-1cr8r,ksc494q3f,methyl-2-bromo-5-chlorobenzoate,methyl 2-bromo-5-chloro-benzoate,methyl 2-bromanyl-5-chloranyl-benzoate,2-bomo-5-chlorobenzoic acid methyl ester
IUPAC Name methyl 2-bromo-5-chlorobenzoate
InChI Key BIECSXCXIXHDBC-UHFFFAOYSA-N
Molecular Formula C8H6BrClO2