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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 (64,928)
Phenols (11,908)
Naphthalenes (4,958)
Fluorenes (1,242)
Unsubstituted Phenols (1,173)
Thiophenols (610)
Phenol esters (428)
Anthracenes (400)
Tetralins (329)
Phenanthrenes and derivatives (300)
Triphenyl compounds (290)
Indanes (288)
Pyrenes (217)
Dibenzocycloheptenes (65)
Ellagic acids and derivatives (33)
Naphthacenes (31)
Acenaphthylenes (16)
Pentacenequinones (16)
Pentacenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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8,071 – 8,085 of 73,817 results
8,071

1-(Azidomethyl)pyrene 98.0+%, TCI America™
SDP

CAS: 1006061-57-9 Molecular Formula: C17H11N3 Molecular Weight (g/mol): 257.296 InChI Key: WLKXPQFZTSRGHP-UHFFFAOYSA-N PubChem CID: 89183461 IUPAC Name: diazonio(pyren-1-ylmethyl)azanide SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C[N-][N+]#N

PubChem CID 89183461
CAS 1006061-57-9
Molecular Weight (g/mol) 257.296
SMILES C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C[N-][N+]#N
IUPAC Name diazonio(pyren-1-ylmethyl)azanide
InChI Key WLKXPQFZTSRGHP-UHFFFAOYSA-N
Molecular Formula C17H11N3
8,072

3,4-Difluorobenzyl Alcohol 98.0+%, TCI America™
SDP

CAS: 85118-05-4 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.12 MDL Number: MFCD00010628 InChI Key: GNQLTCVBSGVGHC-UHFFFAOYSA-N Synonym: 3,4-difluorobenzyl alcohol,3,4-difluorophenyl methanol,benzenemethanol, 3,4-difluoro,3,4-difluorobenzylalcohol,3,4-difluoro-phenyl-methanol,3,4-difluorophenyl methan-1-ol,3, 4-difluorobenzyl alcohol,pubchem4916,acmc-209q4o,ksc493q4f PubChem CID: 522833 IUPAC Name: (3,4-difluorophenyl)methanol SMILES: OCC1=CC=C(F)C(F)=C1

PubChem CID 522833
CAS 85118-05-4
Molecular Weight (g/mol) 144.12
MDL Number MFCD00010628
SMILES OCC1=CC=C(F)C(F)=C1
Synonym 3,4-difluorobenzyl alcohol,3,4-difluorophenyl methanol,benzenemethanol, 3,4-difluoro,3,4-difluorobenzylalcohol,3,4-difluoro-phenyl-methanol,3,4-difluorophenyl methan-1-ol,3, 4-difluorobenzyl alcohol,pubchem4916,acmc-209q4o,ksc493q4f
IUPAC Name (3,4-difluorophenyl)methanol
InChI Key GNQLTCVBSGVGHC-UHFFFAOYSA-N
Molecular Formula C7H6F2O
8,073

2-Chlorobenzoyl Chloride 98.0+%, TCI America™
SDP

CAS: 609-65-4 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00000660 InChI Key: ONIKNECPXCLUHT-UHFFFAOYSA-N Synonym: benzoyl chloride, 2-chloro,o-chlorobenzoyl chloride,chlorobenzoyl chloride,benzoyl chloride, o-chloro,ococ,2-chloro-benzoyl chloride,unii-jr29a4n74x,o-chlorobenzoylchloride,2-chlorobenzoylchloride,2-chlorobenzoic acid chloride PubChem CID: 69110 ChEBI: CHEBI:60719 IUPAC Name: 2-chlorobenzoyl chloride SMILES: ClC(=O)C1=CC=CC=C1Cl

PubChem CID 69110
CAS 609-65-4
Molecular Weight (g/mol) 175.01
ChEBI CHEBI:60719
MDL Number MFCD00000660
SMILES ClC(=O)C1=CC=CC=C1Cl
Synonym benzoyl chloride, 2-chloro,o-chlorobenzoyl chloride,chlorobenzoyl chloride,benzoyl chloride, o-chloro,ococ,2-chloro-benzoyl chloride,unii-jr29a4n74x,o-chlorobenzoylchloride,2-chlorobenzoylchloride,2-chlorobenzoic acid chloride
IUPAC Name 2-chlorobenzoyl chloride
InChI Key ONIKNECPXCLUHT-UHFFFAOYSA-N
Molecular Formula C7H4Cl2O
8,074

1'-Acetonaphthone 95.0+%, TCI America™
SDP

CAS: 941-98-0 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.211 MDL Number: MFCD00004013 InChI Key: QQLIGMASAVJVON-UHFFFAOYSA-N Synonym: 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone PubChem CID: 13663 IUPAC Name: 1-naphthalen-1-ylethanone SMILES: CC(=O)C1=CC=CC2=CC=CC=C21

PubChem CID 13663
CAS 941-98-0
Molecular Weight (g/mol) 170.211
MDL Number MFCD00004013
SMILES CC(=O)C1=CC=CC2=CC=CC=C21
Synonym 1'-acetonaphthone,1-acetonaphthone,1-acetylnaphthalene,methyl 1-naphthyl ketone,1-acetonaphthalene,1-1-naphthalenyl ethanone,ethanone, 1-1-naphthalenyl,1-naphthalen-1-yl ethanone,1-naphthyl methyl ketone,alpha-acetonaphthone
IUPAC Name 1-naphthalen-1-ylethanone
InChI Key QQLIGMASAVJVON-UHFFFAOYSA-N
Molecular Formula C12H10O
8,075

Phenylurethane 98.0+%, TCI America™
SDP

CAS: 101-99-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00026806 InChI Key: LBKPGNUOUPTQKA-UHFFFAOYSA-N Synonym: n-phenylurethane,phenylurethane,ethyl phenylcarbamate,phenylurethan,ethyl carbanilate,euphorin,keimstop,urethane, phenyl,carbanilic acid, ethyl ester,phenylethyl carbamate PubChem CID: 7591 IUPAC Name: ethyl N-phenylcarbamate SMILES: CCOC(=O)NC1=CC=CC=C1

PubChem CID 7591
CAS 101-99-5
Molecular Weight (g/mol) 165.192
MDL Number MFCD00026806
SMILES CCOC(=O)NC1=CC=CC=C1
Synonym n-phenylurethane,phenylurethane,ethyl phenylcarbamate,phenylurethan,ethyl carbanilate,euphorin,keimstop,urethane, phenyl,carbanilic acid, ethyl ester,phenylethyl carbamate
IUPAC Name ethyl N-phenylcarbamate
InChI Key LBKPGNUOUPTQKA-UHFFFAOYSA-N
Molecular Formula C9H11NO2
8,076

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

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
8,077

Hexafluorobenzene 99.0+%, TCI America™
SDP

CAS: 392-56-3 Molecular Formula: C6F6 Molecular Weight (g/mol): 186.056 MDL Number: MFCD00000288 InChI Key: ZQBFAOFFOQMSGJ-UHFFFAOYSA-N Synonym: hexafluorobenzene,perfluorobenzene,benzene, hexafluoro,hexafluorbenzol,unii-cmc18t611k,benzene, 1,2,3,4,5,6-hexafluoro,hexa fluorobenzene,hexafluoro benzene,pubchem18879,acmc-1bmus PubChem CID: 9805 ChEBI: CHEBI:38589 IUPAC Name: 1,2,3,4,5,6-hexafluorobenzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)F

PubChem CID 9805
CAS 392-56-3
Molecular Weight (g/mol) 186.056
ChEBI CHEBI:38589
MDL Number MFCD00000288
SMILES C1(=C(C(=C(C(=C1F)F)F)F)F)F
Synonym hexafluorobenzene,perfluorobenzene,benzene, hexafluoro,hexafluorbenzol,unii-cmc18t611k,benzene, 1,2,3,4,5,6-hexafluoro,hexa fluorobenzene,hexafluoro benzene,pubchem18879,acmc-1bmus
IUPAC Name 1,2,3,4,5,6-hexafluorobenzene
InChI Key ZQBFAOFFOQMSGJ-UHFFFAOYSA-N
Molecular Formula C6F6
8,078

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

CAS: 4919-37-3 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00016536 InChI Key: OMNHTTWQSSUZHO-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3,5-dimethyl,pubchem16247,acmc-209kf7,ksc496e2b,omnhttwqssuzho-uhfffaoysa,3.5-dimethyl-4-hydroxybenzoic acid,3,5-dimethyl-4-hydroxy-benzoic acid,4-hydroxy-3,5-dimethyl-benzoic acid PubChem CID: 138387 IUPAC Name: 4-hydroxy-3,5-dimethylbenzoic acid SMILES: CC1=CC(=CC(=C1O)C)C(=O)O

PubChem CID 138387
CAS 4919-37-3
Molecular Weight (g/mol) 166.176
MDL Number MFCD00016536
SMILES CC1=CC(=CC(=C1O)C)C(=O)O
Synonym 3,5-dimethyl-4-hydroxybenzoic acid,benzoic acid, 4-hydroxy-3,5-dimethyl,pubchem16247,acmc-209kf7,ksc496e2b,omnhttwqssuzho-uhfffaoysa,3.5-dimethyl-4-hydroxybenzoic acid,3,5-dimethyl-4-hydroxy-benzoic acid,4-hydroxy-3,5-dimethyl-benzoic acid
IUPAC Name 4-hydroxy-3,5-dimethylbenzoic acid
InChI Key OMNHTTWQSSUZHO-UHFFFAOYSA-N
Molecular Formula C9H10O3
8,079

9,10-Bis(phenylethynyl)anthracene 98.0+%, TCI America™
SDP

CAS: 10075-85-1 Molecular Formula: C30H18 Molecular Weight (g/mol): 378.474 MDL Number: MFCD00012050 InChI Key: ZHBOFZNNPZNWGB-UHFFFAOYSA-N Synonym: 9,10-bis phenylethynyl anthracene,9,10-bis 2-phenylethynyl anthracene,anthracene, 9,10-bis phenylethynyl,bpea,anthracene, 9,10-bis 2-phenylethynyl,bis phcc-anthracene,unii-fc8jdb70dq,9,10-bis phenylvinyl anthracene,fc8jdb70dq,9,10-bis-phenylethynyl anthracene PubChem CID: 82338 ChEBI: CHEBI:51675 IUPAC Name: 9,10-bis(2-phenylethynyl)anthracene SMILES: C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5

PubChem CID 82338
CAS 10075-85-1
Molecular Weight (g/mol) 378.474
ChEBI CHEBI:51675
MDL Number MFCD00012050
SMILES C1=CC=C(C=C1)C#CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C#CC5=CC=CC=C5
Synonym 9,10-bis phenylethynyl anthracene,9,10-bis 2-phenylethynyl anthracene,anthracene, 9,10-bis phenylethynyl,bpea,anthracene, 9,10-bis 2-phenylethynyl,bis phcc-anthracene,unii-fc8jdb70dq,9,10-bis phenylvinyl anthracene,fc8jdb70dq,9,10-bis-phenylethynyl anthracene
IUPAC Name 9,10-bis(2-phenylethynyl)anthracene
InChI Key ZHBOFZNNPZNWGB-UHFFFAOYSA-N
Molecular Formula C30H18
8,080

Vanillin Acetate 98.0+%, TCI America™
SDP

CAS: 881-68-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00003362 InChI Key: PZSJOBKRSVRODF-UHFFFAOYSA-N Synonym: vanillin acetate,4-acetoxy-3-methoxybenzaldehyde,acetovanillin,acetylvanillin,vanillin, acetate,4-o-acetylvanillin,o-acetylvanillin,benzaldehyde, 4-acetyloxy-3-methoxy,3-methoxy-4-acetoxybenzaldehyde,acetyl vanillin PubChem CID: 61229 ChEBI: CHEBI:86956 IUPAC Name: (4-formyl-2-methoxyphenyl) acetate SMILES: CC(=O)OC1=C(C=C(C=C1)C=O)OC

PubChem CID 61229
CAS 881-68-5
Molecular Weight (g/mol) 194.186
ChEBI CHEBI:86956
MDL Number MFCD00003362
SMILES CC(=O)OC1=C(C=C(C=C1)C=O)OC
Synonym vanillin acetate,4-acetoxy-3-methoxybenzaldehyde,acetovanillin,acetylvanillin,vanillin, acetate,4-o-acetylvanillin,o-acetylvanillin,benzaldehyde, 4-acetyloxy-3-methoxy,3-methoxy-4-acetoxybenzaldehyde,acetyl vanillin
IUPAC Name (4-formyl-2-methoxyphenyl) acetate
InChI Key PZSJOBKRSVRODF-UHFFFAOYSA-N
Molecular Formula C10H10O4
8,081

Methyl 3-Amino-4-methoxybenzoate 98.0+%, TCI America™
SDP

CAS: 24812-90-6 Molecular Formula: C9H11NO3 Molecular Weight (g/mol): 181.191 InChI Key: QVDWKLDUBSJEOG-UHFFFAOYSA-N Synonym: 3-amino-4-methoxybenzoic acid methyl ester,3-amino-4-methoxy-benzoic acid methyl ester,methyl-3-amino-4-methoxybenzoate,3-amino-p-anisic acid methyl ester,methyl-4-methoxy-3-aminobenzoate,benzoic acid, 3-amino-4-methoxy-, methyl ester,pubchem2033,3-amino-4-methoxy-benzoicacidmethylester,acmc-209get,m-aminoanissauremethylester PubChem CID: 2734814 IUPAC Name: methyl 3-amino-4-methoxybenzoate SMILES: COC1=C(C=C(C=C1)C(=O)OC)N

PubChem CID 2734814
CAS 24812-90-6
Molecular Weight (g/mol) 181.191
SMILES COC1=C(C=C(C=C1)C(=O)OC)N
Synonym 3-amino-4-methoxybenzoic acid methyl ester,3-amino-4-methoxy-benzoic acid methyl ester,methyl-3-amino-4-methoxybenzoate,3-amino-p-anisic acid methyl ester,methyl-4-methoxy-3-aminobenzoate,benzoic acid, 3-amino-4-methoxy-, methyl ester,pubchem2033,3-amino-4-methoxy-benzoicacidmethylester,acmc-209get,m-aminoanissauremethylester
IUPAC Name methyl 3-amino-4-methoxybenzoate
InChI Key QVDWKLDUBSJEOG-UHFFFAOYSA-N
Molecular Formula C9H11NO3
8,082

2-Fluoro-3-methylaniline 98.0+%, TCI America™
SDP

CAS: 1978-33-2 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD06410915 InChI Key: WFZUBZAEFXETBF-UHFFFAOYSA-N Synonym: 3-amino-2-fluorotoluene,2-fluoro-m-toluidine,2-fluoro-3-methylbenzenamine,3-amino-2-fluoro-toluene,2-fluoro-3-methyl-aniline,2-fluoro-3-methylphenylamine,2-fluoro-3-aminotoluene,benzenamine, 2-fluoro-3-methyl,2-fluoro-3-methyl-phenylamine,pubchem1536 PubChem CID: 22734623 IUPAC Name: 2-fluoro-3-methylaniline SMILES: CC1=C(F)C(N)=CC=C1

PubChem CID 22734623
CAS 1978-33-2
Molecular Weight (g/mol) 125.15
MDL Number MFCD06410915
SMILES CC1=C(F)C(N)=CC=C1
Synonym 3-amino-2-fluorotoluene,2-fluoro-m-toluidine,2-fluoro-3-methylbenzenamine,3-amino-2-fluoro-toluene,2-fluoro-3-methyl-aniline,2-fluoro-3-methylphenylamine,2-fluoro-3-aminotoluene,benzenamine, 2-fluoro-3-methyl,2-fluoro-3-methyl-phenylamine,pubchem1536
IUPAC Name 2-fluoro-3-methylaniline
InChI Key WFZUBZAEFXETBF-UHFFFAOYSA-N
Molecular Formula C7H8FN
8,083

2-Phenylbutyric Acid 98.0+%, TCI America™
SDP

CAS: 90-27-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002667 InChI Key: OFJWFSNDPCAWDK-UHFFFAOYSA-N Synonym: 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl PubChem CID: 7012 ChEBI: CHEBI:86545 IUPAC Name: 2-phenylbutanoic acid SMILES: CCC(C1=CC=CC=C1)C(=O)O

PubChem CID 7012
CAS 90-27-7
Molecular Weight (g/mol) 164.204
ChEBI CHEBI:86545
MDL Number MFCD00002667
SMILES CCC(C1=CC=CC=C1)C(=O)O
Synonym 2-phenylbutyric acid,alpha-ethylphenylacetic acid,butyric acid, 2-phenyl,alpha-phenylbutyric acid,benzeneacetic acid, .alpha.-ethyl,alpha-phenyl butyric acid,2-phenylbutyricacid,benzeneacetic acid, alpha-ethyl,2-phenylburyric acid,alpha-toluic acid, alpha-ethyl
IUPAC Name 2-phenylbutanoic acid
InChI Key OFJWFSNDPCAWDK-UHFFFAOYSA-N
Molecular Formula C10H12O2
8,084

Naphthacene 97.0+%, TCI America™
SDP

CAS: 92-24-0 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.294 MDL Number: MFCD00003702 InChI Key: IFLREYGFSNHWGE-UHFFFAOYSA-N Synonym: naphthacene,2,3-benzanthracene,rubene,benz b anthracene,2,3-benzanthrene,chrysogen,hydrocarbon,unii-qyj5z6712r,ccris 1183 PubChem CID: 7080 ChEBI: CHEBI:32600 IUPAC Name: tetracene SMILES: C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1

PubChem CID 7080
CAS 92-24-0
Molecular Weight (g/mol) 228.294
ChEBI CHEBI:32600
MDL Number MFCD00003702
SMILES C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1
Synonym naphthacene,2,3-benzanthracene,rubene,benz b anthracene,2,3-benzanthrene,chrysogen,hydrocarbon,unii-qyj5z6712r,ccris 1183
IUPAC Name tetracene
InChI Key IFLREYGFSNHWGE-UHFFFAOYSA-N
Molecular Formula C18H12
8,085

Methyl Thiosalicylate 98.0+%, TCI America™
SDP

CAS: 4892-02-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00060678 InChI Key: BAQGCWNPCFABAY-UHFFFAOYSA-N Synonym: methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester PubChem CID: 21009 IUPAC Name: methyl 2-sulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1S

PubChem CID 21009
CAS 4892-02-8
Molecular Weight (g/mol) 168.21
MDL Number MFCD00060678
SMILES COC(=O)C1=CC=CC=C1S
Synonym methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester
IUPAC Name methyl 2-sulfanylbenzoate
InChI Key BAQGCWNPCFABAY-UHFFFAOYSA-N
Molecular Formula C8H8O2S