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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 (191)
Phenols (61)
Naphthalenes (10)
Fluorenes (3)
Thiophenols (2)
Unsubstituted Phenols (1)

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1 – 15 of 233 results
1

3-Bromotoluene 98.0+%, TCI America™

CAS: 591-17-3 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000085 InChI Key: WJIFKOVZNJTSGO-UHFFFAOYSA-N Synonym: 3-bromotoluene,m-bromotoluene,3-methylbromobenzene,benzene, 1-bromo-3-methyl,m-tolyl bromide,toluene, m-bromo,5-bromotoluene,3-bromo-1-methylbenzene,m-methylbromobenzene,3-methyl-1-bromobenzene PubChem CID: 11560 IUPAC Name: 1-bromo-3-methylbenzene SMILES: CC1=CC=CC(Br)=C1

PubChem CID 11560
CAS 591-17-3
Molecular Weight (g/mol) 171.04
MDL Number MFCD00000085
SMILES CC1=CC=CC(Br)=C1
Synonym 3-bromotoluene,m-bromotoluene,3-methylbromobenzene,benzene, 1-bromo-3-methyl,m-tolyl bromide,toluene, m-bromo,5-bromotoluene,3-bromo-1-methylbenzene,m-methylbromobenzene,3-methyl-1-bromobenzene
IUPAC Name 1-bromo-3-methylbenzene
InChI Key WJIFKOVZNJTSGO-UHFFFAOYSA-N
Molecular Formula C7H7Br
2

Dienestrol 96.0+%, TCI America™

CAS: 84-17-3 Molecular Formula: C18H18O2 Molecular Weight (g/mol): 266.34 MDL Number: MFCD00050983 InChI Key: NFDFQCUYFHCNBW-SCGPFSFSSA-N PubChem CID: 667476 IUPAC Name: 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol SMILES: CC=C(C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)O

PubChem CID 667476
CAS 84-17-3
Molecular Weight (g/mol) 266.34
MDL Number MFCD00050983
SMILES CC=C(C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)O
IUPAC Name 4-[(2E,4E)-4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
InChI Key NFDFQCUYFHCNBW-SCGPFSFSSA-N
Molecular Formula C18H18O2
3

Basic Fuchsin, Spectrum™ Chemical
SDP

CAS: 569-61-9 Molecular Formula: C19H18ClN3 Molecular Weight (g/mol): 323.82 InChI Key: JUQPZRLQQYSMEQ-UHFFFAOYSA-N IUPAC Name: hydrogen 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline chloride SMILES: [H+].[Cl-].NC1=CC=C(C=C1)C(C1=CC=C(N)C=C1)=C1C=CC(=N)C=C1

CAS 569-61-9
Molecular Weight (g/mol) 323.82
SMILES [H+].[Cl-].NC1=CC=C(C=C1)C(C1=CC=C(N)C=C1)=C1C=CC(=N)C=C1
IUPAC Name hydrogen 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline chloride
InChI Key JUQPZRLQQYSMEQ-UHFFFAOYSA-N
Molecular Formula C19H18ClN3
4

3-Bromopropyltriphenylphosphonium Bromide 98.0+%, TCI America™

CAS: 3607-17-8 Molecular Formula: C21H21Br2P Molecular Weight (g/mol): 464.181 MDL Number: MFCD00011866 InChI Key: ZAHUZZUGJRPGKW-UHFFFAOYSA-M Synonym: 3-bromopropyl triphenylphosphonium bromide,3-bromopropyltriphenylphosphonium bromide,bromo 3-bromopropyl triphenylphosphorus,phosphonium, 3-bromopropyl triphenyl-, bromide,3-bromopropyl triphenylphosphanium bromide,3-bromopropyl triphenylphosphonium,acmc-209ikr,bromo 3-bromopropyl triphenylphosphorane,3-brompropyl triphenylphosphonium bromide PubChem CID: 2723862 IUPAC Name: 3-bromopropyl(triphenyl)phosphanium;bromide SMILES: C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

PubChem CID 2723862
CAS 3607-17-8
Molecular Weight (g/mol) 464.181
MDL Number MFCD00011866
SMILES C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Synonym 3-bromopropyl triphenylphosphonium bromide,3-bromopropyltriphenylphosphonium bromide,bromo 3-bromopropyl triphenylphosphorus,phosphonium, 3-bromopropyl triphenyl-, bromide,3-bromopropyl triphenylphosphanium bromide,3-bromopropyl triphenylphosphonium,acmc-209ikr,bromo 3-bromopropyl triphenylphosphorane,3-brompropyl triphenylphosphonium bromide
IUPAC Name 3-bromopropyl(triphenyl)phosphanium;bromide
InChI Key ZAHUZZUGJRPGKW-UHFFFAOYSA-M
Molecular Formula C21H21Br2P
5

3,4-Dichlorobenzenethiol 97.0+%, TCI America™

CAS: 5858-17-3 Molecular Formula: C6H4Cl2S Molecular Weight (g/mol): 179.058 MDL Number: MFCD00004840 InChI Key: HNJZDPKMMZXSKT-UHFFFAOYSA-N Synonym: 3,4-dichlorothiophenol,3,4-dichloro thiophenol,benzenethiol, 3,4-dichloro,3,4-dichlorobenzene-1-thiol,pubchem6803,3,4dichloro-thiophenol,acmc-1aset,3,4-dichloro-thiophenol,3 ,4-dichlorobenzenethiol,3,4-dichlorophenylmercaptan PubChem CID: 79964 IUPAC Name: 3,4-dichlorobenzenethiol SMILES: C1=CC(=C(C=C1S)Cl)Cl

PubChem CID 79964
CAS 5858-17-3
Molecular Weight (g/mol) 179.058
MDL Number MFCD00004840
SMILES C1=CC(=C(C=C1S)Cl)Cl
Synonym 3,4-dichlorothiophenol,3,4-dichloro thiophenol,benzenethiol, 3,4-dichloro,3,4-dichlorobenzene-1-thiol,pubchem6803,3,4dichloro-thiophenol,acmc-1aset,3,4-dichloro-thiophenol,3 ,4-dichlorobenzenethiol,3,4-dichlorophenylmercaptan
IUPAC Name 3,4-dichlorobenzenethiol
InChI Key HNJZDPKMMZXSKT-UHFFFAOYSA-N
Molecular Formula C6H4Cl2S
6

2,3-Benzofluorene 97.0+%, TCI America™

CAS: 243-17-4 Molecular Formula: C17H12 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00003595 InChI Key: HAPOJKSPCGLOOD-UHFFFAOYSA-N Synonym: 2,3-benzofluorene,11h-benzo b fluorene,benzo b fluorene,unii-gmo75ruy0l,2,3-benzfluorene,gmo75ruy0l,11h-benzo b fluorene # PubChem CID: 9201 ChEBI: CHEBI:34566 IUPAC Name: 11H-benzo[b]fluorene SMILES: C1C2=CC=CC=C2C2=C1C=C1C=CC=CC1=C2

PubChem CID 9201
CAS 243-17-4
Molecular Weight (g/mol) 216.28
ChEBI CHEBI:34566
MDL Number MFCD00003595
SMILES C1C2=CC=CC=C2C2=C1C=C1C=CC=CC1=C2
Synonym 2,3-benzofluorene,11h-benzo b fluorene,benzo b fluorene,unii-gmo75ruy0l,2,3-benzfluorene,gmo75ruy0l,11h-benzo b fluorene #
IUPAC Name 11H-benzo[b]fluorene
InChI Key HAPOJKSPCGLOOD-UHFFFAOYSA-N
Molecular Formula C17H12
7

2,3,4-Trifluorobenzaldehyde 98.0+%, TCI America™

CAS: 161793-17-5 Molecular Formula: C7H3F3O Molecular Weight (g/mol): 160.095 MDL Number: MFCD00061230 InChI Key: UQEDGFZRPSAHLC-UHFFFAOYSA-N Synonym: 2,3,4-trifluorobenz-aldehyde,benzaldehyde, 2,3,4-trifluoro,2,3,4-trifluoro benzaldehyde,pubchem4255,intermediates-zcf02215,acmc-209dn7,2,3,4-trilfuorobenzaldehyde,ksc182o7d,2,3,4-trifluoro-benzaldehyde,timtec-bb sbb003969 PubChem CID: 519226 IUPAC Name: 2,3,4-trifluorobenzaldehyde SMILES: C1=CC(=C(C(=C1C=O)F)F)F

PubChem CID 519226
CAS 161793-17-5
Molecular Weight (g/mol) 160.095
MDL Number MFCD00061230
SMILES C1=CC(=C(C(=C1C=O)F)F)F
Synonym 2,3,4-trifluorobenz-aldehyde,benzaldehyde, 2,3,4-trifluoro,2,3,4-trifluoro benzaldehyde,pubchem4255,intermediates-zcf02215,acmc-209dn7,2,3,4-trilfuorobenzaldehyde,ksc182o7d,2,3,4-trifluoro-benzaldehyde,timtec-bb sbb003969
IUPAC Name 2,3,4-trifluorobenzaldehyde
InChI Key UQEDGFZRPSAHLC-UHFFFAOYSA-N
Molecular Formula C7H3F3O
8

1-Ethynyl-3-fluorobenzene 98.0+%, TCI America™

CAS: 2561-17-3 Molecular Formula: C8H5F Molecular Weight (g/mol): 120.126 MDL Number: MFCD03093798 InChI Key: PTRUTZFCVFUTMW-UHFFFAOYSA-N Synonym: 3-Fluorophenylacetylene PubChem CID: 520218 IUPAC Name: 1-ethynyl-3-fluorobenzene SMILES: C#CC1=CC(=CC=C1)F

PubChem CID 520218
CAS 2561-17-3
Molecular Weight (g/mol) 120.126
MDL Number MFCD03093798
SMILES C#CC1=CC(=CC=C1)F
Synonym 3-Fluorophenylacetylene
IUPAC Name 1-ethynyl-3-fluorobenzene
InChI Key PTRUTZFCVFUTMW-UHFFFAOYSA-N
Molecular Formula C8H5F
9

2,3,5,6-Tetrafluoroaniline 97.0+%, TCI America™

CAS: 700-17-4 Molecular Formula: C6H3F4N Molecular Weight (g/mol): 165.091 MDL Number: MFCD00007644 InChI Key: SPSWJTZNOXMMMV-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluoraniline,2,3,5,6-tetrafluorobenzenamine,benzenamine, 2,3,5,6-tetrafluoro,2,3,5,6-tetrafluorophenylamine,acmc-1bm33,2,3,5, 6-tetrafluoroaniline,2,3,5,6-tetrafluoro-aniline,2,3,5,6-tetrafluoro aniline,timtec-bb sbb028353,aniline, 2,3,5,6-tetrafluoro PubChem CID: 12786 IUPAC Name: 2,3,5,6-tetrafluoroaniline SMILES: C1=C(C(=C(C(=C1F)F)N)F)F

PubChem CID 12786
CAS 700-17-4
Molecular Weight (g/mol) 165.091
MDL Number MFCD00007644
SMILES C1=C(C(=C(C(=C1F)F)N)F)F
Synonym 2,3,5,6-tetrafluoraniline,2,3,5,6-tetrafluorobenzenamine,benzenamine, 2,3,5,6-tetrafluoro,2,3,5,6-tetrafluorophenylamine,acmc-1bm33,2,3,5, 6-tetrafluoroaniline,2,3,5,6-tetrafluoro-aniline,2,3,5,6-tetrafluoro aniline,timtec-bb sbb028353,aniline, 2,3,5,6-tetrafluoro
IUPAC Name 2,3,5,6-tetrafluoroaniline
InChI Key SPSWJTZNOXMMMV-UHFFFAOYSA-N
Molecular Formula C6H3F4N
10

4-Chloro-3-fluorobenzoic Acid 98.0+%, TCI America™

CAS: 403-17-8 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.56 MDL Number: MFCD00143290 InChI Key: QPIBHIXKUQKNFP-UHFFFAOYSA-N Synonym: 3-fluoro-4-chlorobenzoic acid,4-chloro-3-fluorobenzoicacid,4-chloro-3-fluoro-benzoic acid,benzoic acid, 4-chloro-3-fluoro,pubchem1333,acmc-1ctvr,ksc493s7r,4-chloro-3-fluoro benzoicacid,rarechem al bo 1770,4-chloro-3-fluoro benzoic acid PubChem CID: 2736536 IUPAC Name: 4-chloro-3-fluorobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C(F)=C1

PubChem CID 2736536
CAS 403-17-8
Molecular Weight (g/mol) 174.56
MDL Number MFCD00143290
SMILES OC(=O)C1=CC=C(Cl)C(F)=C1
Synonym 3-fluoro-4-chlorobenzoic acid,4-chloro-3-fluorobenzoicacid,4-chloro-3-fluoro-benzoic acid,benzoic acid, 4-chloro-3-fluoro,pubchem1333,acmc-1ctvr,ksc493s7r,4-chloro-3-fluoro benzoicacid,rarechem al bo 1770,4-chloro-3-fluoro benzoic acid
IUPAC Name 4-chloro-3-fluorobenzoic acid
InChI Key QPIBHIXKUQKNFP-UHFFFAOYSA-N
Molecular Formula C7H4ClFO2
11

2,3,5,6-Tetrafluorobenzonitrile 92.0+%, TCI America™

CAS: 5216-17-1 Molecular Formula: C7HF4N Molecular Weight (g/mol): 175.09 MDL Number: MFCD00012286 InChI Key: IOQMWOBRUDNEOA-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrafluorobenzenecarbonitrile,pubchem23299,4h-perfluorobenzonitrile,acmc-1ak3k,2,3,5,6-tetrafluoro-benzonitrile,2,3,5,6-tetrafluorobenzonitrile_x000d_,2,3,5,6-tetrakis fluoranyl benzenecarbonitrile PubChem CID: 297546 IUPAC Name: 2,3,5,6-tetrafluorobenzonitrile SMILES: FC1=CC(F)=C(F)C(C#N)=C1F

PubChem CID 297546
CAS 5216-17-1
Molecular Weight (g/mol) 175.09
MDL Number MFCD00012286
SMILES FC1=CC(F)=C(F)C(C#N)=C1F
Synonym 2,3,5,6-tetrafluorobenzenecarbonitrile,pubchem23299,4h-perfluorobenzonitrile,acmc-1ak3k,2,3,5,6-tetrafluoro-benzonitrile,2,3,5,6-tetrafluorobenzonitrile_x000d_,2,3,5,6-tetrakis fluoranyl benzenecarbonitrile
IUPAC Name 2,3,5,6-tetrafluorobenzonitrile
InChI Key IOQMWOBRUDNEOA-UHFFFAOYSA-N
Molecular Formula C7HF4N
12

2,4,5-Trifluorobenzoic Acid 97.0+%, TCI America™

CAS: 446-17-3 Molecular Formula: C7H2F3O2 Molecular Weight (g/mol): 175.09 MDL Number: MFCD00013306 InChI Key: AKAMNXFLKYKFOJ-UHFFFAOYSA-M Synonym: 2,4,5-trifluoro-benzoic acid,benzoic acid, 2,4,5-trifluoro,pubchem1346,acmc-209jyu,2,4,5-trifluorobenzoicacid,ksc235o3j,2,4,5-trifluoro benzoic acid,rarechem al bo 0258,akamnxflkykfoj-uhfffaoysa,2,4,5-trifluorobenzoic acid PubChem CID: 521170 IUPAC Name: 2,4,5-trifluorobenzoate SMILES: [O-]C(=O)C1=CC(F)=C(F)C=C1F

PubChem CID 521170
CAS 446-17-3
Molecular Weight (g/mol) 175.09
MDL Number MFCD00013306
SMILES [O-]C(=O)C1=CC(F)=C(F)C=C1F
Synonym 2,4,5-trifluoro-benzoic acid,benzoic acid, 2,4,5-trifluoro,pubchem1346,acmc-209jyu,2,4,5-trifluorobenzoicacid,ksc235o3j,2,4,5-trifluoro benzoic acid,rarechem al bo 0258,akamnxflkykfoj-uhfffaoysa,2,4,5-trifluorobenzoic acid
IUPAC Name 2,4,5-trifluorobenzoate
InChI Key AKAMNXFLKYKFOJ-UHFFFAOYSA-M
Molecular Formula C7H2F3O2
13

3,4-Dimethoxybenzyl Cyanide 98.0+%, TCI America™

CAS: 93-17-4 Molecular Formula: C10H11NO2 Molecular Weight (g/mol): 177.203 MDL Number: MFCD00001911 InChI Key: ASLSUMISAQDOOB-UHFFFAOYSA-N Synonym: 3,4-dimethoxyphenylacetonitrile,3,4-dimethoxyphenyl acetonitrile,homoveratronitrile,3,4-dimethoxybenzyl cyanide,veratryl cyanide,2-3,4-dimethoxyphenyl acetonitrile,3,4-dimethoxybenzeneacetonitrile,benzeneacetonitrile, 3,4-dimethoxy,unii-62c8s706sp,3,4-dimethoxy phenylacetonitrile PubChem CID: 66727 IUPAC Name: 2-(3,4-dimethoxyphenyl)acetonitrile SMILES: COC1=C(C=C(C=C1)CC#N)OC

PubChem CID 66727
CAS 93-17-4
Molecular Weight (g/mol) 177.203
MDL Number MFCD00001911
SMILES COC1=C(C=C(C=C1)CC#N)OC
Synonym 3,4-dimethoxyphenylacetonitrile,3,4-dimethoxyphenyl acetonitrile,homoveratronitrile,3,4-dimethoxybenzyl cyanide,veratryl cyanide,2-3,4-dimethoxyphenyl acetonitrile,3,4-dimethoxybenzeneacetonitrile,benzeneacetonitrile, 3,4-dimethoxy,unii-62c8s706sp,3,4-dimethoxy phenylacetonitrile
IUPAC Name 2-(3,4-dimethoxyphenyl)acetonitrile
InChI Key ASLSUMISAQDOOB-UHFFFAOYSA-N
Molecular Formula C10H11NO2
14

Bis(3-fluorophenyl) Disulfide 97.0+%, TCI America™

CAS: 63930-17-6 Molecular Formula: C12H8F2S2 Molecular Weight (g/mol): 254.313 MDL Number: MFCD01318104 InChI Key: LFVFHTBHAIVNJQ-UHFFFAOYSA-N Synonym: bis 3-fluorophenyl disulfide,bis 3-fluorophenyl disulphide,1,2-bis 3-fluorophenyl disulfane,3,3'-difluoro diphenyl disulfide,1-fluoro-3-3-fluorophenyl disulfanyl benzene,3,3'-difluorodiphenyl disulfide,bis-3-fluorophenyl disulfide,disulfide, bis 3-fluorophenyl,di3-fluorophenyl disulfide PubChem CID: 2737794 IUPAC Name: 1-fluoro-3-[(3-fluorophenyl)disulfanyl]benzene SMILES: C1=CC(=CC(=C1)SSC2=CC=CC(=C2)F)F

PubChem CID 2737794
CAS 63930-17-6
Molecular Weight (g/mol) 254.313
MDL Number MFCD01318104
SMILES C1=CC(=CC(=C1)SSC2=CC=CC(=C2)F)F
Synonym bis 3-fluorophenyl disulfide,bis 3-fluorophenyl disulphide,1,2-bis 3-fluorophenyl disulfane,3,3'-difluoro diphenyl disulfide,1-fluoro-3-3-fluorophenyl disulfanyl benzene,3,3'-difluorodiphenyl disulfide,bis-3-fluorophenyl disulfide,disulfide, bis 3-fluorophenyl,di3-fluorophenyl disulfide
IUPAC Name 1-fluoro-3-[(3-fluorophenyl)disulfanyl]benzene
InChI Key LFVFHTBHAIVNJQ-UHFFFAOYSA-N
Molecular Formula C12H8F2S2
15

4-Bromobenzyl Chloride 98.0+%, TCI America™

CAS: 589-17-3 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.48 MDL Number: MFCD00040867 InChI Key: BSIIGUGKOPPTPZ-UHFFFAOYSA-N Synonym: 1-bromo-4-chloromethyl benzene,4-bromobenzyl chloride,p-bromobenzyl chloride,4-bromobenzylchloride,4-bromo-alpha-chlorotoluene,benzene, 1-bromo-4-chloromethyl,ccris 5105,p-bromo-alpha-chlorotoluene,pubchem2478,4-bromo-benzylchloride PubChem CID: 68528 IUPAC Name: 1-bromo-4-(chloromethyl)benzene SMILES: ClCC1=CC=C(Br)C=C1

PubChem CID 68528
CAS 589-17-3
Molecular Weight (g/mol) 205.48
MDL Number MFCD00040867
SMILES ClCC1=CC=C(Br)C=C1
Synonym 1-bromo-4-chloromethyl benzene,4-bromobenzyl chloride,p-bromobenzyl chloride,4-bromobenzylchloride,4-bromo-alpha-chlorotoluene,benzene, 1-bromo-4-chloromethyl,ccris 5105,p-bromo-alpha-chlorotoluene,pubchem2478,4-bromo-benzylchloride
IUPAC Name 1-bromo-4-(chloromethyl)benzene
InChI Key BSIIGUGKOPPTPZ-UHFFFAOYSA-N
Molecular Formula C7H6BrCl