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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.
Acetophenones (2)
Aminobenzoic acids and derivatives (4)
Aminotoluenes (23)
Anilides (4)
Aniline and substituted anilines (24)
Benzenesulfonamides (4)
Benzenesulfonyl compounds (8)
Benzoic acid esters (8)
Benzophenones (25)
Benzoyl derivatives (70)
Biphenyls and derivatives (6)
Bromobenzenes (63)
Cumenes (6)
Diphenylethers (7)
Diphenylmethanes (20)
Fluorobenzenes (42)
Iodobenzenes (33)
Methoxybenzenes (21)
Methoxybenzoic acids and derivatives (5)
Nitrobenzenes (29)
Nitrobenzoic acids and derivatives (10)
Nitrotoluenes (19)
Phenoxy compounds (26)
Phenylcarbamic acid esters (3)
Phenylhydrazines (2)
Phenylmethylamines (19)
Phenylphosphines and derivatives (11)
Phenylpropanes (17)
Phenylpropylamines (1)
Phthalic acid and derivatives (7)
Styrenes (25)
Sulfanilides (2)
Sulfanylbenzoic acids and derivatives (2)
Terphenyls (2)
Toluene diisocyanates (2)
Trifluoromethylbenzenes (62)
Hydroxybenzoic Acid Derivatives (38)
Benzyl Derivatives (61)

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1

Benzhydrol, 99%

CAS: 91-01-0 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.24 MDL Number: MFCD00004488 InChI Key: QILSFLSDHQAZET-UHFFFAOYSA-N Synonym: benzhydrol,diphenylcarbinol,benzohydrol,benzhydryl alcohol,hydroxydiphenylmethane,diphenylmethyl alcohol,diphenyl carbinol,alpha-phenylbenzenemethanol,diphenyl-methanol,benzenemethanol, .alpha.-phenyl PubChem CID: 7037 IUPAC Name: diphenylmethanol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)O

EDGE
PubChem CID 7037
CAS 91-01-0
Molecular Weight (g/mol) 184.24
MDL Number MFCD00004488
SMILES C1=CC=C(C=C1)C(C2=CC=CC=C2)O
Synonym benzhydrol,diphenylcarbinol,benzohydrol,benzhydryl alcohol,hydroxydiphenylmethane,diphenylmethyl alcohol,diphenyl carbinol,alpha-phenylbenzenemethanol,diphenyl-methanol,benzenemethanol, .alpha.-phenyl
IUPAC Name diphenylmethanol
InChI Key QILSFLSDHQAZET-UHFFFAOYSA-N
Molecular Formula C13H12O
2

Benzophenone, 99+%, pure

CAS: 119-61-9 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

EDGE
PubChem CID 3102
CAS 119-61-9
Molecular Weight (g/mol) 182.22
ChEBI CHEBI:41308
SMILES C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
IUPAC Name diphenylmethanone
InChI Key RWCCWEUUXYIKHB-UHFFFAOYSA-N
Molecular Formula C13H10O
3

1,4-Dimethoxybenzene, 99+%

CAS: 150-78-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00008401 InChI Key: OHBQPCCCRFSCAX-UHFFFAOYSA-N Synonym: p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9 PubChem CID: 9016 IUPAC Name: 1,4-dimethoxybenzene SMILES: COC1=CC=C(OC)C=C1

EDGE
PubChem CID 9016
CAS 150-78-7
Molecular Weight (g/mol) 138.17
MDL Number MFCD00008401
SMILES COC1=CC=C(OC)C=C1
Synonym p-dimethoxybenzene,p-methoxyanisole,hydroquinone dimethyl ether,benzene, 1,4-dimethoxy,quinol dimethyl ether,benzene, p-dimethoxy,dimethylhydroquinone ether,dimethyl ether hydroquinone,1,4-dimethoxybenzol,usaf an-9
IUPAC Name 1,4-dimethoxybenzene
InChI Key OHBQPCCCRFSCAX-UHFFFAOYSA-N
Molecular Formula C8H10O2
4

4-(Trifluoromethyl)benzaldehyde, 98%

CAS: 455-19-6 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00006952 InChI Key: BEOBZEOPTQQELP-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde PubChem CID: 67996 IUPAC Name: 4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC=C1C=O)C(F)(F)F

EDGE
PubChem CID 67996
CAS 455-19-6
Molecular Weight (g/mol) 174.12
MDL Number MFCD00006952
SMILES C1=CC(=CC=C1C=O)C(F)(F)F
Synonym 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde
IUPAC Name 4-(trifluoromethyl)benzaldehyde
InChI Key BEOBZEOPTQQELP-UHFFFAOYSA-N
Molecular Formula C8H5F3O
5

Iodopentafluorobenzene, 99%, stabilised over copper

CAS: 827-15-6 Molecular Formula: C6F5I Molecular Weight (g/mol): 293.96 InChI Key: OPYHNLNYCRZOGY-UHFFFAOYSA-N Synonym: iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982 PubChem CID: 70008 IUPAC Name: 1,2,3,4,5-pentafluoro-6-iodobenzene SMILES: C1(=C(C(=C(C(=C1F)F)I)F)F)F

PubChem CID 70008
CAS 827-15-6
Molecular Weight (g/mol) 293.96
SMILES C1(=C(C(=C(C(=C1F)F)I)F)F)F
Synonym iodopentafluorobenzene,pentafluoroiodobenzene,benzene, pentafluoroiodo,2,3,4,5,6-pentafluoroiodobenzene,iodoperfluorobenzene,pentafluorophenyl iodide,1,2,3,4,5-pentafluoro-6-iodo-benzene,perfluoroiodobenzene,ibf,pubchem19982
IUPAC Name 1,2,3,4,5-pentafluoro-6-iodobenzene
InChI Key OPYHNLNYCRZOGY-UHFFFAOYSA-N
Molecular Formula C6F5I
6

Phenyl ether, 99%

CAS: 101-84-8 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00003034 InChI Key: USIUVYZYUHIAEV-UHFFFAOYSA-N Synonym: diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl PubChem CID: 7583 ChEBI: CHEBI:39258 IUPAC Name: phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2

PubChem CID 7583
CAS 101-84-8
Molecular Weight (g/mol) 170.21
ChEBI CHEBI:39258
MDL Number MFCD00003034
SMILES C1=CC=C(C=C1)OC2=CC=CC=C2
Synonym diphenyl ether,diphenyl oxide,phenyl ether,oxydibenzene,phenyl oxide,oxybisbenzene,biphenyl oxide,1,1'-oxydibenzene,benzene, 1,1'-oxybis,oxydiphenyl
IUPAC Name phenoxybenzene
InChI Key USIUVYZYUHIAEV-UHFFFAOYSA-N
Molecular Formula C12H10O
7

2-Iodobenzonitrile, 99%

CAS: 4387-36-4 Molecular Weight (g/mol): 229.02 MDL Number: MFCD00079761 InChI Key: JDDAFHUEOVUDFJ-UHFFFAOYSA-N Synonym: 1-cyano-2-iodobenzene,benzonitrile, 2-iodo,o-iodobenzonitrile,2-iodobenzenecarbonitrile,iodobenzonitrile,2-cyanoiodobenzene,pubchem3932,acmc-209jvq,2-iodobenzonitrile,ksc235m8d PubChem CID: 2759358 IUPAC Name: 2-iodobenzonitrile SMILES: C1=CC=C(C(=C1)C#N)I

PubChem CID 2759358
CAS 4387-36-4
Molecular Weight (g/mol) 229.02
MDL Number MFCD00079761
SMILES C1=CC=C(C(=C1)C#N)I
Synonym 1-cyano-2-iodobenzene,benzonitrile, 2-iodo,o-iodobenzonitrile,2-iodobenzenecarbonitrile,iodobenzonitrile,2-cyanoiodobenzene,pubchem3932,acmc-209jvq,2-iodobenzonitrile,ksc235m8d
IUPAC Name 2-iodobenzonitrile
InChI Key JDDAFHUEOVUDFJ-UHFFFAOYSA-N
8

Benzophenone, 99%, pure

CAS: 119-61-9 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Synonym: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

PubChem CID 3102
CAS 119-61-9
Molecular Weight (g/mol) 182.22
ChEBI CHEBI:41308
SMILES C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
Synonym benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone
IUPAC Name diphenylmethanone
InChI Key RWCCWEUUXYIKHB-UHFFFAOYSA-N
Molecular Formula C13H10O
9

1-(4-Methylphenyl)piperazine, 98%

CAS: 39593-08-3 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.26 MDL Number: MFCD00040737 InChI Key: ONEYFZXGNFNRJH-UHFFFAOYSA-N Synonym: 1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine PubChem CID: 83113 IUPAC Name: 1-(4-methylphenyl)piperazine SMILES: CC1=CC=C(C=C1)N2CCNCC2

PubChem CID 83113
CAS 39593-08-3
Molecular Weight (g/mol) 176.26
MDL Number MFCD00040737
SMILES CC1=CC=C(C=C1)N2CCNCC2
Synonym 1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine
IUPAC Name 1-(4-methylphenyl)piperazine
InChI Key ONEYFZXGNFNRJH-UHFFFAOYSA-N
Molecular Formula C11H16N2
10

4-Iodobenzonitrile, 99%, Thermo Scientific Chemicals

CAS: 3058-39-7 Molecular Formula: C7H4IN Molecular Weight (g/mol): 229.02 MDL Number: MFCD00051310 InChI Key: XOKDXPVXJWTSRM-UHFFFAOYSA-N Synonym: p-iodobenzonitrile,benzonitrile, 4-iodo,p-cyanoiodobenzene,benzonitrile, p-iodo,1-cyano-4-iodobenzene,4-cyanoiodobenzene,4-iodo-benzonitrile,4-iodobenzenecarbonitrile,4-iodbenzonitril,4-iodo benzonitrile PubChem CID: 76467 IUPAC Name: 4-iodobenzonitrile SMILES: IC1=CC=C(C=C1)C#N

PubChem CID 76467
CAS 3058-39-7
Molecular Weight (g/mol) 229.02
MDL Number MFCD00051310
SMILES IC1=CC=C(C=C1)C#N
Synonym p-iodobenzonitrile,benzonitrile, 4-iodo,p-cyanoiodobenzene,benzonitrile, p-iodo,1-cyano-4-iodobenzene,4-cyanoiodobenzene,4-iodo-benzonitrile,4-iodobenzenecarbonitrile,4-iodbenzonitril,4-iodo benzonitrile
IUPAC Name 4-iodobenzonitrile
InChI Key XOKDXPVXJWTSRM-UHFFFAOYSA-N
Molecular Formula C7H4IN
12

4-Methoxy-alpha-toluenethiol, 95%, Thermo Scientific Chemicals

CAS: 6258-60-2 Molecular Formula: C8H10OS Molecular Weight (g/mol): 154.23 MDL Number: MFCD00004871 InChI Key: PTDVPWWJRCOIIO-UHFFFAOYSA-N Synonym: 4-methoxybenzyl mercaptan,4-methoxy-alpha-toluenethiol,4-methoxybenzylmercaptan,4-methoxyphenyl methanethiol,4-methoxy benzylmercaptan,4-methoxybenzenemethanethiol,benzenemethanethiol, 4-methoxy,p-methoxybenzyl mercaptan,p-methoxybenzylthiol,p-methoxybenzylmercaptan PubChem CID: 80407 IUPAC Name: (4-methoxyphenyl)methanethiol SMILES: COC1=CC=C(CS)C=C1

PubChem CID 80407
CAS 6258-60-2
Molecular Weight (g/mol) 154.23
MDL Number MFCD00004871
SMILES COC1=CC=C(CS)C=C1
Synonym 4-methoxybenzyl mercaptan,4-methoxy-alpha-toluenethiol,4-methoxybenzylmercaptan,4-methoxyphenyl methanethiol,4-methoxy benzylmercaptan,4-methoxybenzenemethanethiol,benzenemethanethiol, 4-methoxy,p-methoxybenzyl mercaptan,p-methoxybenzylthiol,p-methoxybenzylmercaptan
IUPAC Name (4-methoxyphenyl)methanethiol
InChI Key PTDVPWWJRCOIIO-UHFFFAOYSA-N
Molecular Formula C8H10OS
13

3-(Dimethylamino)benzyl alcohol, 95%

CAS: 23501-93-1 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00017342 InChI Key: YTUXZVSDDHCTBZ-UHFFFAOYSA-N Synonym: 3-dimethylamino phenyl methanol,3-dimethylamino benzyl alcohol,3-dimethylaminobenzyl alcohol,m-dimethylamino benzyl alcohol,benzenemethanol,3-dimethylamino,3-dimethylamino phenyl methan-1-ol,benzyl alcohol, m-dimethylamino,benzenemethanol, 3-dimethylamino PubChem CID: 90133 IUPAC Name: [3-(dimethylamino)phenyl]methanol SMILES: CN(C)C1=CC=CC(=C1)CO

PubChem CID 90133
CAS 23501-93-1
Molecular Weight (g/mol) 151.21
MDL Number MFCD00017342
SMILES CN(C)C1=CC=CC(=C1)CO
Synonym 3-dimethylamino phenyl methanol,3-dimethylamino benzyl alcohol,3-dimethylaminobenzyl alcohol,m-dimethylamino benzyl alcohol,benzenemethanol,3-dimethylamino,3-dimethylamino phenyl methan-1-ol,benzyl alcohol, m-dimethylamino,benzenemethanol, 3-dimethylamino
IUPAC Name [3-(dimethylamino)phenyl]methanol
InChI Key YTUXZVSDDHCTBZ-UHFFFAOYSA-N
Molecular Formula C9H13NO
14

Phenyl vinyl sulfone, 98%

CAS: 5535-48-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00007554 InChI Key: UJTPZISIAWDGFF-UHFFFAOYSA-N Synonym: phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon PubChem CID: 79664 IUPAC Name: ethenylsulfonylbenzene SMILES: C=CS(=O)(=O)C1=CC=CC=C1

PubChem CID 79664
CAS 5535-48-8
Molecular Weight (g/mol) 168.21
MDL Number MFCD00007554
SMILES C=CS(=O)(=O)C1=CC=CC=C1
Synonym phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon
IUPAC Name ethenylsulfonylbenzene
InChI Key UJTPZISIAWDGFF-UHFFFAOYSA-N
Molecular Formula C8H8O2S
15

4-Chloromethylbenzonitrile, 98%

CAS: 874-86-2 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.59 MDL Number: MFCD00019761 InChI Key: LOQLDQJTSMKBJU-UHFFFAOYSA-N Synonym: 4-chloromethyl benzonitrile,4-cyanobenzyl chloride,4-chloromethyl-benzonitrile,benzonitrile, 4-chloromethyl,ccris 5103,p-cyanobenzyl chloride,4-chloromethyl benzenecarbonitrile,4-cyanobenzylchloride,pubchem7377,alp.-chloro-p-tolunitrile PubChem CID: 70127 IUPAC Name: 4-(chloromethyl)benzonitrile SMILES: C1=CC(=CC=C1CCl)C#N

PubChem CID 70127
CAS 874-86-2
Molecular Weight (g/mol) 151.59
MDL Number MFCD00019761
SMILES C1=CC(=CC=C1CCl)C#N
Synonym 4-chloromethyl benzonitrile,4-cyanobenzyl chloride,4-chloromethyl-benzonitrile,benzonitrile, 4-chloromethyl,ccris 5103,p-cyanobenzyl chloride,4-chloromethyl benzenecarbonitrile,4-cyanobenzylchloride,pubchem7377,alp.-chloro-p-tolunitrile
IUPAC Name 4-(chloromethyl)benzonitrile
InChI Key LOQLDQJTSMKBJU-UHFFFAOYSA-N
Molecular Formula C8H6ClN