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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (175)
Phenols (36)
Naphthalenes (15)
Unsubstituted Phenols (3)
Anthracenes (2)
Phenol esters (2)

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1

2-Amino-3,6-difluorobenzonitrile, 97%

CAS: 190011-81-5 Molecular Formula: C7H4F2N2 Molecular Weight (g/mol): 154.12 MDL Number: MFCD13178244 InChI Key: ZPQFHGOBMGGBEP-UHFFFAOYSA-N Synonym: 2-amino-3,6-difluoro-benzonitrile,2-cyano-3,6-difluoroaniline,2-amino-3,6-difluorobenzonitrile,benzonitrile, 2-amino-3,6-difluoro-9ci PubChem CID: 45090591 IUPAC Name: 2-amino-3,6-difluorobenzonitrile SMILES: NC1=C(F)C=CC(F)=C1C#N

PubChem CID 45090591
CAS 190011-81-5
Molecular Weight (g/mol) 154.12
MDL Number MFCD13178244
SMILES NC1=C(F)C=CC(F)=C1C#N
Synonym 2-amino-3,6-difluoro-benzonitrile,2-cyano-3,6-difluoroaniline,2-amino-3,6-difluorobenzonitrile,benzonitrile, 2-amino-3,6-difluoro-9ci
IUPAC Name 2-amino-3,6-difluorobenzonitrile
InChI Key ZPQFHGOBMGGBEP-UHFFFAOYSA-N
Molecular Formula C7H4F2N2
2

2-Bromoaniline 98.0+%, TCI America™

CAS: 615-36-1 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.025 MDL Number: MFCD00007632 InChI Key: AOPBDRUWRLBSDB-UHFFFAOYSA-N Synonym: o-bromoaniline,benzenamine, 2-bromo,o-aminobromobenzene,aniline, o-bromo,2-bromobenzenamine,bromoaniline 2-,2-bromo aniline,2-bromophenylamine,benzenamine,2-bromo,2-bromioaniline PubChem CID: 11992 IUPAC Name: 2-bromoaniline SMILES: C1=CC=C(C(=C1)N)Br

PubChem CID 11992
CAS 615-36-1
Molecular Weight (g/mol) 172.025
MDL Number MFCD00007632
SMILES C1=CC=C(C(=C1)N)Br
Synonym o-bromoaniline,benzenamine, 2-bromo,o-aminobromobenzene,aniline, o-bromo,2-bromobenzenamine,bromoaniline 2-,2-bromo aniline,2-bromophenylamine,benzenamine,2-bromo,2-bromioaniline
IUPAC Name 2-bromoaniline
InChI Key AOPBDRUWRLBSDB-UHFFFAOYSA-N
Molecular Formula C6H6BrN
3

2,5-Difluorobenzophenone 96.0+%, TCI America™

CAS: 85068-36-6 Molecular Formula: C13H8F2O Molecular Weight (g/mol): 218.203 MDL Number: MFCD00009899 InChI Key: HSCUAAMDKDZZKG-UHFFFAOYSA-N Synonym: 2,5-difluorobenzophenone,2,5-difluorophenyl phenyl methanone,2,5-difluoro-phenyl-phenyl-methanone,methanone, 2,5-difluorophenyl phenyl,2,5-difluoro diphenylmethanone,2,5-difluorophenyl-phenylmethanone,2,5-difluorophenyl phenyl ketone,pubchem4214,2.5-difluorobenzophenone,2,5-difluoro benzophenone PubChem CID: 522826 IUPAC Name: (2,5-difluorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)F)F

PubChem CID 522826
CAS 85068-36-6
Molecular Weight (g/mol) 218.203
MDL Number MFCD00009899
SMILES C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)F)F
Synonym 2,5-difluorobenzophenone,2,5-difluorophenyl phenyl methanone,2,5-difluoro-phenyl-phenyl-methanone,methanone, 2,5-difluorophenyl phenyl,2,5-difluoro diphenylmethanone,2,5-difluorophenyl-phenylmethanone,2,5-difluorophenyl phenyl ketone,pubchem4214,2.5-difluorobenzophenone,2,5-difluoro benzophenone
IUPAC Name (2,5-difluorophenyl)-phenylmethanone
InChI Key HSCUAAMDKDZZKG-UHFFFAOYSA-N
Molecular Formula C13H8F2O
4

2-Amino-3,6-dichlorobenzoic acid, 95%, Thermo Scientific Chemicals

CAS: 3032-32-4 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.02 MDL Number: MFCD00052390 InChI Key: MMIREQFMYZQWLU-UHFFFAOYSA-N PubChem CID: 604542 IUPAC Name: 2-amino-3,6-dichlorobenzoic acid SMILES: NC1=C(Cl)C=CC(Cl)=C1C(O)=O

PubChem CID 604542
CAS 3032-32-4
Molecular Weight (g/mol) 206.02
MDL Number MFCD00052390
SMILES NC1=C(Cl)C=CC(Cl)=C1C(O)=O
IUPAC Name 2-amino-3,6-dichlorobenzoic acid
InChI Key MMIREQFMYZQWLU-UHFFFAOYSA-N
Molecular Formula C7H5Cl2NO2
5

Resveratrol 99.0+%, TCI America™

CAS: 501-36-0 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00133799 InChI Key: LUKBXSAWLPMMSZ-OWOJBTEDSA-N Synonym: resveratrol,trans-resveratrol,3,4',5-trihydroxystilbene,3,5,4'-trihydroxystilbene,e-resveratrol,3,4',5-stilbenetriol,e-5-4-hydroxystyryl benzene-1,3-diol,resvida,3,4',5-trihydroxy-trans-stilbene,5-e-2-4-hydroxyphenyl ethenyl benzene-1,3-diol PubChem CID: 445154 ChEBI: CHEBI:45713 IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O

PubChem CID 445154
CAS 501-36-0
Molecular Weight (g/mol) 228.247
ChEBI CHEBI:45713
MDL Number MFCD00133799
SMILES C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
Synonym resveratrol,trans-resveratrol,3,4',5-trihydroxystilbene,3,5,4'-trihydroxystilbene,e-resveratrol,3,4',5-stilbenetriol,e-5-4-hydroxystyryl benzene-1,3-diol,resvida,3,4',5-trihydroxy-trans-stilbene,5-e-2-4-hydroxyphenyl ethenyl benzene-1,3-diol
IUPAC Name 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
InChI Key LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Molecular Formula C14H12O3
6

5-Fluoro-2-nitrophenol 98.0+%, TCI America™

CAS: 446-36-6 Molecular Formula: C6H4FNO3 Molecular Weight (g/mol): 157.1 MDL Number: MFCD00007107 InChI Key: QQURWFRNETXFTN-UHFFFAOYSA-N Synonym: 2-nitro-5-fluorophenol,3-fluoro-6-nitrophenol,phenol, 5-fluoro-2-nitro,4-fluoro-2-hydroxynitrobenzene,5-fluoro-2-nitro-phenol,pubchem1490,pubchem2371,acmc-209jzc,3-fluoro 6-nitrophenol,5-flouro-2-nitrophenol PubChem CID: 9937 IUPAC Name: 5-fluoro-2-nitrophenol SMILES: C1=CC(=C(C=C1F)O)[N+](=O)[O-]

PubChem CID 9937
CAS 446-36-6
Molecular Weight (g/mol) 157.1
MDL Number MFCD00007107
SMILES C1=CC(=C(C=C1F)O)[N+](=O)[O-]
Synonym 2-nitro-5-fluorophenol,3-fluoro-6-nitrophenol,phenol, 5-fluoro-2-nitro,4-fluoro-2-hydroxynitrobenzene,5-fluoro-2-nitro-phenol,pubchem1490,pubchem2371,acmc-209jzc,3-fluoro 6-nitrophenol,5-flouro-2-nitrophenol
IUPAC Name 5-fluoro-2-nitrophenol
InChI Key QQURWFRNETXFTN-UHFFFAOYSA-N
Molecular Formula C6H4FNO3
7

4-Amino-2-nitrobenzoic Acid 98.0+%, TCI America™

CAS: 610-36-6 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.135 InChI Key: SAJYSJVBNGUWJK-UHFFFAOYSA-N PubChem CID: 235713 SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O

PubChem CID 235713
CAS 610-36-6
Molecular Weight (g/mol) 182.135
SMILES C1=CC(=C(C=C1N)[N+](=O)[O-])C(=O)O
InChI Key SAJYSJVBNGUWJK-UHFFFAOYSA-N
Molecular Formula C7H6N2O4
8

2-Chloro-4-fluorobenzaldehyde 97.0+%, TCI America™

CAS: 84194-36-5 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00042527 InChI Key: KMQWNQKESAHDKD-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoro-benzaldehyde,benzaldehyde, 2-chloro-4-fluoro,pubchem1433,acmc-209pu2,2-chloro-4-fluorobezaldehyde,ksc448a5h,2-chloro 4-fluorobenzaldehyde,4-fluoro-2-chlorobenzaldehyde,2-chloro 4-fluoro benzaldehyde,timtec-bb sbb003983 PubChem CID: 145024 IUPAC Name: 2-chloro-4-fluorobenzaldehyde SMILES: FC1=CC=C(C=O)C(Cl)=C1

PubChem CID 145024
CAS 84194-36-5
Molecular Weight (g/mol) 158.56
MDL Number MFCD00042527
SMILES FC1=CC=C(C=O)C(Cl)=C1
Synonym 2-chloro-4-fluoro-benzaldehyde,benzaldehyde, 2-chloro-4-fluoro,pubchem1433,acmc-209pu2,2-chloro-4-fluorobezaldehyde,ksc448a5h,2-chloro 4-fluorobenzaldehyde,4-fluoro-2-chlorobenzaldehyde,2-chloro 4-fluoro benzaldehyde,timtec-bb sbb003983
IUPAC Name 2-chloro-4-fluorobenzaldehyde
InChI Key KMQWNQKESAHDKD-UHFFFAOYSA-N
Molecular Formula C7H4ClFO
9

2'-Methyl-3'-nitroacetanilide 98.0+%, TCI America™

CAS: 56207-36-4 Molecular Formula: C9H10N2O3 Molecular Weight (g/mol): 194.19 MDL Number: MFCD01047363 InChI Key: NMYFXIITWKKOKY-UHFFFAOYSA-N PubChem CID: 151316 IUPAC Name: N-(2-methyl-3-nitrophenyl)acetamide SMILES: CC(=O)NC1=CC=CC(=C1C)[N+]([O-])=O

PubChem CID 151316
CAS 56207-36-4
Molecular Weight (g/mol) 194.19
MDL Number MFCD01047363
SMILES CC(=O)NC1=CC=CC(=C1C)[N+]([O-])=O
IUPAC Name N-(2-methyl-3-nitrophenyl)acetamide
InChI Key NMYFXIITWKKOKY-UHFFFAOYSA-N
Molecular Formula C9H10N2O3
10

3,3'-Dibromo-4,4'-dimethoxybiphenyl 95.0+%, TCI America™

CAS: 108989-36-2 Molecular Formula: C14H12Br2O2 Molecular Weight (g/mol): 372.056 InChI Key: VUOOJGFHEDZGEA-UHFFFAOYSA-N PubChem CID: 15040359 IUPAC Name: 2-bromo-4-(3-bromo-4-methoxyphenyl)-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC)Br)Br

PubChem CID 15040359
CAS 108989-36-2
Molecular Weight (g/mol) 372.056
SMILES COC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC)Br)Br
IUPAC Name 2-bromo-4-(3-bromo-4-methoxyphenyl)-1-methoxybenzene
InChI Key VUOOJGFHEDZGEA-UHFFFAOYSA-N
Molecular Formula C14H12Br2O2
11

2-Iodobenzonitrile 98.0+%, TCI America™

CAS: 4387-36-4 Molecular Formula: C7H4IN Molecular Weight (g/mol): 229.02 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
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
Molecular Formula C7H4IN
12

(Acetylmethylene)triphenylphosphorane 98.0+%, TCI America™

CAS: 1439-36-7 Molecular Formula: C21H19OP Molecular Weight (g/mol): 318.36 MDL Number: MFCD00008774 InChI Key: KAANTNXREIRLCT-UHFFFAOYSA-N Synonym: acetylmethylene triphenylphosphorane,1-triphenylphosphoranylidene propan-2-one,1-triphenylphosphoranylidene-2-propanone,1-triphenylphosphoranylidene acetone,2-propanone, 1-triphenylphosphoranylidene,acetonylidenetriphenyl phosphorane,acetylmethylene triphenylphosphine,triphenylacetylmethylene phosphorane,2-propanone, triphenylphosphoranylidene,triphenylphosphoranylidene-2-propanone PubChem CID: 15038 IUPAC Name: 1-(triphenyl-λ⁵-phosphanylidene)propan-2-one SMILES: CC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 15038
CAS 1439-36-7
Molecular Weight (g/mol) 318.36
MDL Number MFCD00008774
SMILES CC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym acetylmethylene triphenylphosphorane,1-triphenylphosphoranylidene propan-2-one,1-triphenylphosphoranylidene-2-propanone,1-triphenylphosphoranylidene acetone,2-propanone, 1-triphenylphosphoranylidene,acetonylidenetriphenyl phosphorane,acetylmethylene triphenylphosphine,triphenylacetylmethylene phosphorane,2-propanone, triphenylphosphoranylidene,triphenylphosphoranylidene-2-propanone
IUPAC Name 1-(triphenyl-λ⁵-phosphanylidene)propan-2-one
InChI Key KAANTNXREIRLCT-UHFFFAOYSA-N
Molecular Formula C21H19OP
13

2,6-Dichlorophenylhydrazine Hydrochloride 98.0+%, TCI America™

CAS: 50709-36-9 Molecular Formula: C6H7Cl3N2 Molecular Weight (g/mol): 213.486 MDL Number: MFCD00012930 InChI Key: CQNIYLLTIOPFCJ-UHFFFAOYSA-N Synonym: 2,6-dichlorophenylhydrazine hydrochloride,2,6-dichlorophenyl hydrazine hydrochloride,1-2,6-dichlorophenyl hydrazine hydrochloride,2,6-dichlorophenyl hydrazine monohydrochloride,hydrazine, 2,6-dichlorophenyl-, monohydrochloride,2,6-dichlorophenylhydrazinehydrochloride,acmc-209kpe,ksc491e8j,2,6-dichlorophenylhydrazine, chloride,2,6-dichlorophenylhydrazine hcl PubChem CID: 2723909 IUPAC Name: (2,6-dichlorophenyl)hydrazine;hydrochloride SMILES: C1=CC(=C(C(=C1)Cl)NN)Cl.Cl

PubChem CID 2723909
CAS 50709-36-9
Molecular Weight (g/mol) 213.486
MDL Number MFCD00012930
SMILES C1=CC(=C(C(=C1)Cl)NN)Cl.Cl
Synonym 2,6-dichlorophenylhydrazine hydrochloride,2,6-dichlorophenyl hydrazine hydrochloride,1-2,6-dichlorophenyl hydrazine hydrochloride,2,6-dichlorophenyl hydrazine monohydrochloride,hydrazine, 2,6-dichlorophenyl-, monohydrochloride,2,6-dichlorophenylhydrazinehydrochloride,acmc-209kpe,ksc491e8j,2,6-dichlorophenylhydrazine, chloride,2,6-dichlorophenylhydrazine hcl
IUPAC Name (2,6-dichlorophenyl)hydrazine;hydrochloride
InChI Key CQNIYLLTIOPFCJ-UHFFFAOYSA-N
Molecular Formula C6H7Cl3N2
14

2-Amino-2',5-dichlorobenzophenone 98.0+%, TCI America™

CAS: 2958-36-3 Molecular Formula: C13H9Cl2NO Molecular Weight (g/mol): 266.121 MDL Number: MFCD00007840 InChI Key: KWZYIAJRFJVQDO-UHFFFAOYSA-N Synonym: 2-amino-2',5-dichlorobenzophenone,2-amino-5-chlorophenyl 2-chlorophenyl methanone,4-chloro-2-2-chlorobenzoyl aniline,methanone, 2-amino-5-chlorophenyl 2-chlorophenyl,unii-g806veo3ke,2-amino-5-chloro-2'-chlorobenzophenone,2-amino-5-chlorophenyl-2-chlorophenyl methanone,g806veo3ke,benzophenone, 2-amino-2',5-dichloro,2-amino-5,2'-dichlorobenzophenone PubChem CID: 18069 IUPAC Name: (2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone SMILES: C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)N)Cl

PubChem CID 18069
CAS 2958-36-3
Molecular Weight (g/mol) 266.121
MDL Number MFCD00007840
SMILES C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)N)Cl
Synonym 2-amino-2',5-dichlorobenzophenone,2-amino-5-chlorophenyl 2-chlorophenyl methanone,4-chloro-2-2-chlorobenzoyl aniline,methanone, 2-amino-5-chlorophenyl 2-chlorophenyl,unii-g806veo3ke,2-amino-5-chloro-2'-chlorobenzophenone,2-amino-5-chlorophenyl-2-chlorophenyl methanone,g806veo3ke,benzophenone, 2-amino-2',5-dichloro,2-amino-5,2'-dichlorobenzophenone
IUPAC Name (2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
InChI Key KWZYIAJRFJVQDO-UHFFFAOYSA-N
Molecular Formula C13H9Cl2NO
15

2-Chloro-4-nitrobenzoyl Chloride 98.0+%, TCI America™

CAS: 7073-36-1 Molecular Formula: C7H3Cl2NO3 Molecular Weight (g/mol): 220.01 MDL Number: MFCD00051515 InChI Key: KTHNITVDTYAHFF-UHFFFAOYSA-N Synonym: benzoyl chloride, 2-chloro-4-nitro,benzoyl chloride,2-chloro-4-nitro,acmc-209ofu,2-chloro-4-nitro-benzoyl chloride PubChem CID: 81522 IUPAC Name: 2-chloro-4-nitrobenzoyl chloride SMILES: [O-][N+](=O)C1=CC=C(C(Cl)=O)C(Cl)=C1

PubChem CID 81522
CAS 7073-36-1
Molecular Weight (g/mol) 220.01
MDL Number MFCD00051515
SMILES [O-][N+](=O)C1=CC=C(C(Cl)=O)C(Cl)=C1
Synonym benzoyl chloride, 2-chloro-4-nitro,benzoyl chloride,2-chloro-4-nitro,acmc-209ofu,2-chloro-4-nitro-benzoyl chloride
IUPAC Name 2-chloro-4-nitrobenzoyl chloride
InChI Key KTHNITVDTYAHFF-UHFFFAOYSA-N
Molecular Formula C7H3Cl2NO3