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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 (424)
Phenols (78)
Naphthalenes (15)
Fluorenes (7)
Phenol esters (7)
Anthracenes (6)
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Phenanthrenes and derivatives (2)
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Dibenzocycloheptenes (1)
Unsubstituted Phenols (1)

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1 – 15 of 453 results
1

2-(4-Bromophenyl)triphenylene 98.0+%, TCI America™

CAS: 1158227-56-5 Molecular Formula: C24H15Br Molecular Weight (g/mol): 383.288 InChI Key: FWESVNIHRVSDDV-UHFFFAOYSA-N PubChem CID: 58174854 IUPAC Name: 2-(4-bromophenyl)triphenylene SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC=C(C=C4)Br)C5=CC=CC=C25

PubChem CID 58174854
CAS 1158227-56-5
Molecular Weight (g/mol) 383.288
SMILES C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC=C(C=C4)Br)C5=CC=CC=C25
IUPAC Name 2-(4-bromophenyl)triphenylene
InChI Key FWESVNIHRVSDDV-UHFFFAOYSA-N
Molecular Formula C24H15Br
2

2-Chloro-5-iodobenzoic Acid 97.0+%, TCI America™

CAS: 19094-56-5 Molecular Formula: C7H4ClIO2 Molecular Weight (g/mol): 282.46 MDL Number: MFCD00079731 InChI Key: GEBYSTBEDVQOTK-UHFFFAOYSA-N Synonym: 2-chloro-5-iodo-benzoic acid,benzoic acid, 2-chloro-5-iodo,pubchem3649,acmc-209eug,5-iodo-2-chlorobenzoic acid,ksc174i1h,benzoicacid, 2-chloro-5-iodo,buttpark 100\01-43,2-chloro-5-iodobenzoic acid PubChem CID: 519638 IUPAC Name: 2-chloro-5-iodobenzoic acid SMILES: OC(=O)C1=C(Cl)C=CC(I)=C1

PubChem CID 519638
CAS 19094-56-5
Molecular Weight (g/mol) 282.46
MDL Number MFCD00079731
SMILES OC(=O)C1=C(Cl)C=CC(I)=C1
Synonym 2-chloro-5-iodo-benzoic acid,benzoic acid, 2-chloro-5-iodo,pubchem3649,acmc-209eug,5-iodo-2-chlorobenzoic acid,ksc174i1h,benzoicacid, 2-chloro-5-iodo,buttpark 100\01-43,2-chloro-5-iodobenzoic acid
IUPAC Name 2-chloro-5-iodobenzoic acid
InChI Key GEBYSTBEDVQOTK-UHFFFAOYSA-N
Molecular Formula C7H4ClIO2
3

4-Bromo-2-chlorophenol 97.0+%, TCI America™

CAS: 3964-56-5 Molecular Formula: C6H4BrClO Molecular Weight (g/mol): 207.45 MDL Number: MFCD00002166 InChI Key: VIBJPUXLAKVICD-UHFFFAOYSA-N Synonym: 2-chloro-4-bromophenol,phenol, 4-bromo-2-chloro,phenol, 4-bromochloro,unii-994sj34d8p,4-bromo-2-chloro-phenol,attercop-chm at106179,4-bromo-2-chlorophenol 25gr,4-bromo-chlorophenol,pubchem3596,acmc-209j6p PubChem CID: 19859 ChEBI: CHEBI:38852 IUPAC Name: 4-bromo-2-chlorophenol SMILES: OC1=CC=C(Br)C=C1Cl

PubChem CID 19859
CAS 3964-56-5
Molecular Weight (g/mol) 207.45
ChEBI CHEBI:38852
MDL Number MFCD00002166
SMILES OC1=CC=C(Br)C=C1Cl
Synonym 2-chloro-4-bromophenol,phenol, 4-bromo-2-chloro,phenol, 4-bromochloro,unii-994sj34d8p,4-bromo-2-chloro-phenol,attercop-chm at106179,4-bromo-2-chlorophenol 25gr,4-bromo-chlorophenol,pubchem3596,acmc-209j6p
IUPAC Name 4-bromo-2-chlorophenol
InChI Key VIBJPUXLAKVICD-UHFFFAOYSA-N
Molecular Formula C6H4BrClO
4

2,3,4,5,6-Pentafluorotoluene 98.0+%, TCI America™

CAS: 771-56-2 Molecular Formula: C7H3F5 Molecular Weight (g/mol): 182.093 MDL Number: MFCD00000298 InChI Key: SXPRVMIZFRCAGC-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorotoluene,pentafluorotoluene,methyl pentafluorobenzene,pentafluoromethylbenzene,benzene, pentafluoromethyl,methylpentafluorobenzene,benzene, 1,2,3,4,5-pentafluoro-6-methyl,toluene, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro-toluene,n-methylpentafluorobenzene PubChem CID: 69869 IUPAC Name: 1,2,3,4,5-pentafluoro-6-methylbenzene SMILES: CC1=C(C(=C(C(=C1F)F)F)F)F

PubChem CID 69869
CAS 771-56-2
Molecular Weight (g/mol) 182.093
MDL Number MFCD00000298
SMILES CC1=C(C(=C(C(=C1F)F)F)F)F
Synonym 2,3,4,5,6-pentafluorotoluene,pentafluorotoluene,methyl pentafluorobenzene,pentafluoromethylbenzene,benzene, pentafluoromethyl,methylpentafluorobenzene,benzene, 1,2,3,4,5-pentafluoro-6-methyl,toluene, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro-toluene,n-methylpentafluorobenzene
IUPAC Name 1,2,3,4,5-pentafluoro-6-methylbenzene
InChI Key SXPRVMIZFRCAGC-UHFFFAOYSA-N
Molecular Formula C7H3F5
5

2,4,5-Trifluorobenzoyl Chloride 98.0+%, TCI America™

CAS: 88419-56-1 Molecular Formula: C7H2ClF3O Molecular Weight (g/mol): 194.54 MDL Number: MFCD00061204 InChI Key: STBGCAUUOPNJBH-UHFFFAOYSA-N Synonym: 2,4,5-trifluorobenzoylchloride,benzoyl chloride, 2,4,5-trifluoro,2,4,5-tris fluoranyl benzoyl chloride,pubchem9716,acmc-209qt0,2,4,5-trifluorobenzoyl-chloride,stbgcauuopnjbh-uhfffaoysa,timtec-bb sbb006657,2,4,5-trifluoro-benzoyl chloride,2,4,5-trifluorobenzoyl chloride PubChem CID: 145164 IUPAC Name: 2,4,5-trifluorobenzoyl chloride SMILES: FC1=CC(F)=C(C=C1F)C(Cl)=O

PubChem CID 145164
CAS 88419-56-1
Molecular Weight (g/mol) 194.54
MDL Number MFCD00061204
SMILES FC1=CC(F)=C(C=C1F)C(Cl)=O
Synonym 2,4,5-trifluorobenzoylchloride,benzoyl chloride, 2,4,5-trifluoro,2,4,5-tris fluoranyl benzoyl chloride,pubchem9716,acmc-209qt0,2,4,5-trifluorobenzoyl-chloride,stbgcauuopnjbh-uhfffaoysa,timtec-bb sbb006657,2,4,5-trifluoro-benzoyl chloride,2,4,5-trifluorobenzoyl chloride
IUPAC Name 2,4,5-trifluorobenzoyl chloride
InChI Key STBGCAUUOPNJBH-UHFFFAOYSA-N
Molecular Formula C7H2ClF3O
6

1,5-Dihydroxynaphthalene 98.0+%, TCI America™

CAS: 83-56-7 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00003980 InChI Key: BOKGTLAJQHTOKE-UHFFFAOYSA-N Synonym: 1,5-dihydroxynaphthalene,1,5-naphthalenediol,1,5-dihydroxy naphthalene,oxidation base,durafur developer e,1,5-dihydroxynapthalene,unii-p25hc23vh6,1,5-dihydroxynaphtalene,1.5-naphthalenediol,pubchem22990 PubChem CID: 6749 IUPAC Name: naphthalene-1,5-diol SMILES: C1=CC2=C(C=CC=C2O)C(=C1)O

PubChem CID 6749
CAS 83-56-7
Molecular Weight (g/mol) 160.172
MDL Number MFCD00003980
SMILES C1=CC2=C(C=CC=C2O)C(=C1)O
Synonym 1,5-dihydroxynaphthalene,1,5-naphthalenediol,1,5-dihydroxy naphthalene,oxidation base,durafur developer e,1,5-dihydroxynapthalene,unii-p25hc23vh6,1,5-dihydroxynaphtalene,1.5-naphthalenediol,pubchem22990
IUPAC Name naphthalene-1,5-diol
InChI Key BOKGTLAJQHTOKE-UHFFFAOYSA-N
Molecular Formula C10H8O2
7

4,5-Difluorophthalonitrile 95.0+%, TCI America™

CAS: 134450-56-9 Molecular Formula: C8H2F2N2 Molecular Weight (g/mol): 164.115 InChI Key: KNDUBEZZKOOYMJ-UHFFFAOYSA-N Synonym: 1,2-Dicyano-4,5-difluorobenzene PubChem CID: 11960962 IUPAC Name: 4,5-difluorobenzene-1,2-dicarbonitrile SMILES: C1=C(C(=CC(=C1F)F)C#N)C#N

PubChem CID 11960962
CAS 134450-56-9
Molecular Weight (g/mol) 164.115
SMILES C1=C(C(=CC(=C1F)F)C#N)C#N
Synonym 1,2-Dicyano-4,5-difluorobenzene
IUPAC Name 4,5-difluorobenzene-1,2-dicarbonitrile
InChI Key KNDUBEZZKOOYMJ-UHFFFAOYSA-N
Molecular Formula C8H2F2N2
8

4-Hydroxy-3,5-dimethoxyphenylacetic Acid 98.0+%, TCI America™

CAS: 4385-56-2 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.201 MDL Number: MFCD00016834 InChI Key: BQBQKSSTFGCRQL-UHFFFAOYSA-N PubChem CID: 78093 IUPAC Name: 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid SMILES: COC1=CC(=CC(=C1O)OC)CC(=O)O

PubChem CID 78093
CAS 4385-56-2
Molecular Weight (g/mol) 212.201
MDL Number MFCD00016834
SMILES COC1=CC(=CC(=C1O)OC)CC(=O)O
IUPAC Name 2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
InChI Key BQBQKSSTFGCRQL-UHFFFAOYSA-N
Molecular Formula C10H12O5
9

3,5-Bis(trifluoromethyl)benzoyl Chloride 98.0+%, TCI America™

CAS: 785-56-8 Molecular Formula: C9H3ClF6O Molecular Weight (g/mol): 276.562 MDL Number: MFCD00000387 InChI Key: WAKMMQSMEDJRRI-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl benzoyl chloride,3,5-bis-trifluoromethylbenzoyl chloride,3,5-di trifluoromethyl benzoyl chloride,3,5-bis trifluoromethyl benzoylchloride,benzoyl chloride, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl benzoyl chloride,benzoylchloride, 3,5-bis trifluoromethyl,fxffr cvg exfff,3,5-bis trifluoromethyl benzoychloride PubChem CID: 101856 IUPAC Name: 3,5-bis(trifluoromethyl)benzoyl chloride SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl

PubChem CID 101856
CAS 785-56-8
Molecular Weight (g/mol) 276.562
MDL Number MFCD00000387
SMILES C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl
Synonym 3,5-bis trifluoromethyl benzoyl chloride,3,5-bis-trifluoromethylbenzoyl chloride,3,5-di trifluoromethyl benzoyl chloride,3,5-bis trifluoromethyl benzoylchloride,benzoyl chloride, 3,5-bis trifluoromethyl,3,5-bis-trifluoromethyl benzoyl chloride,benzoylchloride, 3,5-bis trifluoromethyl,fxffr cvg exfff,3,5-bis trifluoromethyl benzoychloride
IUPAC Name 3,5-bis(trifluoromethyl)benzoyl chloride
InChI Key WAKMMQSMEDJRRI-UHFFFAOYSA-N
Molecular Formula C9H3ClF6O
10

2,4,5-Trifluorobenzyl Bromide 98.0+%, TCI America™

CAS: 157911-56-3 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.008 MDL Number: MFCD00061209 InChI Key: GAUXEYCSWSMMFZ-UHFFFAOYSA-N PubChem CID: 2777057 IUPAC Name: 1-(bromomethyl)-2,4,5-trifluorobenzene SMILES: C1=C(C(=CC(=C1F)F)F)CBr

PubChem CID 2777057
CAS 157911-56-3
Molecular Weight (g/mol) 225.008
MDL Number MFCD00061209
SMILES C1=C(C(=CC(=C1F)F)F)CBr
IUPAC Name 1-(bromomethyl)-2,4,5-trifluorobenzene
InChI Key GAUXEYCSWSMMFZ-UHFFFAOYSA-N
Molecular Formula C7H4BrF3
11

2,5-Dimethoxyaniline 98.0+%, TCI America™

CAS: 102-56-7 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00008368 InChI Key: NAZDVUBIEPVUKE-UHFFFAOYSA-N Synonym: benzenamine, 2,5-dimethoxy,aminohydroquinone dimethyl ether,1-amino-2,5-dimethoxybenzene,2,5-dimethoxybenzenamine,aniline, 2,5-dimethoxy,unii-v3z5u3fl10,2,5 dimethoxyaniline,2,5-dimethoxyphenylamine,dimethoxyaniline 2,5-,2,5-dimethoxy aniline PubChem CID: 7613 IUPAC Name: 2,5-dimethoxyaniline SMILES: COC1=CC=C(OC)C(N)=C1

PubChem CID 7613
CAS 102-56-7
Molecular Weight (g/mol) 153.18
MDL Number MFCD00008368
SMILES COC1=CC=C(OC)C(N)=C1
Synonym benzenamine, 2,5-dimethoxy,aminohydroquinone dimethyl ether,1-amino-2,5-dimethoxybenzene,2,5-dimethoxybenzenamine,aniline, 2,5-dimethoxy,unii-v3z5u3fl10,2,5 dimethoxyaniline,2,5-dimethoxyphenylamine,dimethoxyaniline 2,5-,2,5-dimethoxy aniline
IUPAC Name 2,5-dimethoxyaniline
InChI Key NAZDVUBIEPVUKE-UHFFFAOYSA-N
Molecular Formula C8H11NO2
12

2,5-Dimethoxyaniline 98.0+%, TCI America™

CAS: 102-56-7 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00008368 InChI Key: NAZDVUBIEPVUKE-UHFFFAOYSA-N Synonym: benzenamine, 2,5-dimethoxy,aminohydroquinone dimethyl ether,1-amino-2,5-dimethoxybenzene,2,5-dimethoxybenzenamine,aniline, 2,5-dimethoxy,unii-v3z5u3fl10,2,5 dimethoxyaniline,2,5-dimethoxyphenylamine,dimethoxyaniline 2,5-,2,5-dimethoxy aniline PubChem CID: 7613 IUPAC Name: 2,5-dimethoxyaniline SMILES: COC1=CC=C(OC)C(N)=C1

PubChem CID 7613
CAS 102-56-7
Molecular Weight (g/mol) 153.18
MDL Number MFCD00008368
SMILES COC1=CC=C(OC)C(N)=C1
Synonym benzenamine, 2,5-dimethoxy,aminohydroquinone dimethyl ether,1-amino-2,5-dimethoxybenzene,2,5-dimethoxybenzenamine,aniline, 2,5-dimethoxy,unii-v3z5u3fl10,2,5 dimethoxyaniline,2,5-dimethoxyphenylamine,dimethoxyaniline 2,5-,2,5-dimethoxy aniline
IUPAC Name 2,5-dimethoxyaniline
InChI Key NAZDVUBIEPVUKE-UHFFFAOYSA-N
Molecular Formula C8H11NO2
13

3,5-Diaminobenzoic Acid Dihydrochloride 98.0+%, TCI America™

CAS: 618-56-4 Molecular Formula: C7H10Cl2N2O2 Molecular Weight (g/mol): 225.069 MDL Number: MFCD00012983 InChI Key: IGPLRBRBTUNCRT-UHFFFAOYSA-N Synonym: 3,5-diaminobenzoic acid dihydrochloride,benzoic acid, 3,5-diamino-dihydrochloride,benzoic acid, 3,5-diamino-, hydrochloride 1:2,acmc-1b2s7,3,5-diaminobenzoicaciddihydrochloride,3,5-diamino benzoic acid dihydrochloride PubChem CID: 15556789 IUPAC Name: 3,5-diaminobenzoic acid;dihydrochloride SMILES: C1=C(C=C(C=C1N)N)C(=O)O.Cl.Cl

PubChem CID 15556789
CAS 618-56-4
Molecular Weight (g/mol) 225.069
MDL Number MFCD00012983
SMILES C1=C(C=C(C=C1N)N)C(=O)O.Cl.Cl
Synonym 3,5-diaminobenzoic acid dihydrochloride,benzoic acid, 3,5-diamino-dihydrochloride,benzoic acid, 3,5-diamino-, hydrochloride 1:2,acmc-1b2s7,3,5-diaminobenzoicaciddihydrochloride,3,5-diamino benzoic acid dihydrochloride
IUPAC Name 3,5-diaminobenzoic acid;dihydrochloride
InChI Key IGPLRBRBTUNCRT-UHFFFAOYSA-N
Molecular Formula C7H10Cl2N2O2
14

(S)-(-)-BINAP 98.0+%, TCI America™

CAS: 76189-56-5 Molecular Formula: C44H32P2 Molecular Weight (g/mol): 622.69 MDL Number: MFCD00010805 InChI Key: MUALRAIOVNYAIW-UHFFFAOYSA-N Synonym: binap,r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl,2,2'-bis diphenylphosphino-1,1'-binaphthyl,s-binap,s---binap,s---2,2'-bis diphenylphosphino-1,1'-binaphthyl,r-+-binap,r-binap,rac-binap,2,2'-bis diphenylphosphino-1,1'-binaphthalene PubChem CID: 634876 IUPAC Name: [2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane SMILES: C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 634876
CAS 76189-56-5
Molecular Weight (g/mol) 622.69
MDL Number MFCD00010805
SMILES C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C2C=CC=CC2=C1C1=C(C=CC2=CC=CC=C12)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym binap,r-+-2,2'-bis diphenylphosphino-1,1'-binaphthyl,2,2'-bis diphenylphosphino-1,1'-binaphthyl,s-binap,s---binap,s---2,2'-bis diphenylphosphino-1,1'-binaphthyl,r-+-binap,r-binap,rac-binap,2,2'-bis diphenylphosphino-1,1'-binaphthalene
IUPAC Name [2'-(diphenylphosphanyl)-[1,1'-binaphthalen]-2-yl]diphenylphosphane
InChI Key MUALRAIOVNYAIW-UHFFFAOYSA-N
Molecular Formula C44H32P2
15

3,3,5-Trimethylcyclohexyl Salicylate (cis- and trans- mixture) 98.0+%, TCI America™

CAS: 118-56-9 Molecular Formula: C16H22O3 Molecular Weight (g/mol): 262.349 InChI Key: WSSJONWNBBTCMG-UHFFFAOYSA-N Synonym: homosalate,coppertone,homomenthyl salicylate,3,3,5-trimethylcyclohexyl salicylate,heliopan,heliophan,filtersol a,m-homomenthyl salicylate,homosalatum,benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester PubChem CID: 8362 IUPAC Name: (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate SMILES: CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O

PubChem CID 8362
CAS 118-56-9
Molecular Weight (g/mol) 262.349
SMILES CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O
Synonym homosalate,coppertone,homomenthyl salicylate,3,3,5-trimethylcyclohexyl salicylate,heliopan,heliophan,filtersol a,m-homomenthyl salicylate,homosalatum,benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester
IUPAC Name (3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
InChI Key WSSJONWNBBTCMG-UHFFFAOYSA-N
Molecular Formula C16H22O3