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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 (64,917)
Phenols (11,904)
Naphthalenes (4,958)
Fluorenes (1,242)
Unsubstituted Phenols (1,173)
Thiophenols (609)
Phenol esters (426)
Anthracenes (400)
Tetralins (329)
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Ellagic acids and derivatives (33)
Naphthacenes (31)
Acenaphthylenes (16)
Pentacenequinones (16)
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Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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3,766 – 3,780 of 73,799 results
3,766

4-(Trifluoromethylsulfonyl)benzonitrile, 97+%

CAS: 312-21-0 Molecular Formula: C8H4F3NO2S Molecular Weight (g/mol): 235.18 MDL Number: MFCD01631631 InChI Key: UHCGSMMNICMDIX-UHFFFAOYSA-N Synonym: 4-trifluoromethylsulfonyl benzonitrile,4-trifluoromethyl sulfonyl benzonitrile,4-trifluoromethanesulfonyl benzonitrile,4-trifluoromethanesulfonylbenzonitrile,4-trifluoromethyl sulfonyl benzenecarbonitrile,acmc-1clj3,4-trifluoromethanesulphonylbenzonitrile,4-trifluoromethylsulfonyl benzonitril PubChem CID: 2777824 IUPAC Name: 4-(trifluoromethylsulfonyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)S(=O)(=O)C(F)(F)F

PubChem CID 2777824
CAS 312-21-0
Molecular Weight (g/mol) 235.18
MDL Number MFCD01631631
SMILES C1=CC(=CC=C1C#N)S(=O)(=O)C(F)(F)F
Synonym 4-trifluoromethylsulfonyl benzonitrile,4-trifluoromethyl sulfonyl benzonitrile,4-trifluoromethanesulfonyl benzonitrile,4-trifluoromethanesulfonylbenzonitrile,4-trifluoromethyl sulfonyl benzenecarbonitrile,acmc-1clj3,4-trifluoromethanesulphonylbenzonitrile,4-trifluoromethylsulfonyl benzonitril
IUPAC Name 4-(trifluoromethylsulfonyl)benzonitrile
InChI Key UHCGSMMNICMDIX-UHFFFAOYSA-N
Molecular Formula C8H4F3NO2S
3,767

Ellagic Acid, MP Biomedicals™

CAS: 476-66-4 Molecular Formula: C14H6O8 Molecular Weight (g/mol): 302.19 MDL Number: MFCD00006914 InChI Key: AFSDNFLWKVMVRB-UHFFFAOYSA-N Synonym: ellagic acid,benzoaric acid,lagistase,eleagic acid,alizarine yellow,elagostasine,2,3,7,8-tetrahydroxychromeno 5,4,3-cde chromene-5,10-dione,ellagic acid dihydrate,llagic acid,acide ellagique PubChem CID: 5281855 ChEBI: CHEBI:4775 IUPAC Name: 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione SMILES: OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O

PubChem CID 5281855
CAS 476-66-4
Molecular Weight (g/mol) 302.19
ChEBI CHEBI:4775
MDL Number MFCD00006914
SMILES OC1=CC2=C3C(OC(=O)C4=CC(O)=C(O)C(OC2=O)=C34)=C1O
Synonym ellagic acid,benzoaric acid,lagistase,eleagic acid,alizarine yellow,elagostasine,2,3,7,8-tetrahydroxychromeno 5,4,3-cde chromene-5,10-dione,ellagic acid dihydrate,llagic acid,acide ellagique
IUPAC Name 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
InChI Key AFSDNFLWKVMVRB-UHFFFAOYSA-N
Molecular Formula C14H6O8
3,768

2-[2-(Bromomethyl)phenyl]thiophene, ≥95%, Thermo Scientific™

CAS: 791078-04-1 Molecular Formula: C11H9BrS Molecular Weight (g/mol): 253.157 MDL Number: MFCD07368537 InChI Key: IJNVNLWIQXMBPA-UHFFFAOYSA-N PubChem CID: 7060555 IUPAC Name: 2-[2-(bromomethyl)phenyl]thiophene SMILES: C1=CC=C(C(=C1)CBr)C2=CC=CS2

PubChem CID 7060555
CAS 791078-04-1
Molecular Weight (g/mol) 253.157
MDL Number MFCD07368537
SMILES C1=CC=C(C(=C1)CBr)C2=CC=CS2
IUPAC Name 2-[2-(bromomethyl)phenyl]thiophene
InChI Key IJNVNLWIQXMBPA-UHFFFAOYSA-N
Molecular Formula C11H9BrS
3,769

8-Anilino-1-naphthalene sulfonic acid, Free acid, MP Biomedicals™

CAS: 82-76-8 Molecular Formula: C16H13NO3S Molecular Weight (g/mol): 299.344 InChI Key: FWEOQOXTVHGIFQ-UHFFFAOYSA-N Synonym: 8-anilino-1-naphthalenesulfonic acid,phenylperi acid,n-phenyl peri acid,8-phenylamino naphthalene-1-sulfonic acid,1-anilino-8-naphthalenesulfonate,1-anilino-8-naphthalenesulfonic acid,peri acid, phenyl,1-naphthalenesulfonic acid, 8-phenylamino,1-anilinonaphthalene-8-sulfonic acid,8-anilino-1-naphthalene sulfonic acid PubChem CID: 1369 ChEBI: CHEBI:39708 IUPAC Name: 8-anilinonaphthalene-1-sulfonic acid SMILES: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O

PubChem CID 1369
CAS 82-76-8
Molecular Weight (g/mol) 299.344
ChEBI CHEBI:39708
SMILES C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O
Synonym 8-anilino-1-naphthalenesulfonic acid,phenylperi acid,n-phenyl peri acid,8-phenylamino naphthalene-1-sulfonic acid,1-anilino-8-naphthalenesulfonate,1-anilino-8-naphthalenesulfonic acid,peri acid, phenyl,1-naphthalenesulfonic acid, 8-phenylamino,1-anilinonaphthalene-8-sulfonic acid,8-anilino-1-naphthalene sulfonic acid
IUPAC Name 8-anilinonaphthalene-1-sulfonic acid
InChI Key FWEOQOXTVHGIFQ-UHFFFAOYSA-N
Molecular Formula C16H13NO3S
3,770

2-Chloro-6-methylphenol, 98%

CAS: 87-64-9 Molecular Formula: C7H7ClO Molecular Weight (g/mol): 142.582 MDL Number: MFCD00020000 InChI Key: YPNZJHFXFVLXSE-UHFFFAOYSA-N Synonym: 6-chloro-o-cresol,phenol, 2-chloro-6-methyl,o-cresol, 6-chloro,2-methyl-6-chlorophenol,2-chloro-6-methyl-phenol,6-chloro cresol,6-chlor-o-kresol,pubchem3669,6-chloro-2-methylphenol,2-chloro-6-methyl phenol PubChem CID: 6898 IUPAC Name: 2-chloro-6-methylphenol SMILES: CC1=C(C(=CC=C1)Cl)O

PubChem CID 6898
CAS 87-64-9
Molecular Weight (g/mol) 142.582
MDL Number MFCD00020000
SMILES CC1=C(C(=CC=C1)Cl)O
Synonym 6-chloro-o-cresol,phenol, 2-chloro-6-methyl,o-cresol, 6-chloro,2-methyl-6-chlorophenol,2-chloro-6-methyl-phenol,6-chloro cresol,6-chlor-o-kresol,pubchem3669,6-chloro-2-methylphenol,2-chloro-6-methyl phenol
IUPAC Name 2-chloro-6-methylphenol
InChI Key YPNZJHFXFVLXSE-UHFFFAOYSA-N
Molecular Formula C7H7ClO
3,771

Biphenyl-4,4'-dicarbonitrile, 98%

CAS: 1591-30-6 Molecular Formula: C14H8N2 Molecular Weight (g/mol): 204.232 MDL Number: MFCD00013805 InChI Key: KAXYYLCSSXFXKR-UHFFFAOYSA-N Synonym: 4,4'-biphenyldicarbonitrile,1,1'-biphenyl-4,4'-dicarbonitrile,4,4'-dicyanobiphenyl,biphenyl-4,4'-dicarbonitrile,4,4'-dicyanodiphenyl,4,4'-diphenyldicarbonitrile,4-4-cyanophenyl benzonitrile,4-4-cyanophenyl benzenecarbonitrile PubChem CID: 15321 IUPAC Name: 4-(4-cyanophenyl)benzonitrile SMILES: C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N

PubChem CID 15321
CAS 1591-30-6
Molecular Weight (g/mol) 204.232
MDL Number MFCD00013805
SMILES C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N
Synonym 4,4'-biphenyldicarbonitrile,1,1'-biphenyl-4,4'-dicarbonitrile,4,4'-dicyanobiphenyl,biphenyl-4,4'-dicarbonitrile,4,4'-dicyanodiphenyl,4,4'-diphenyldicarbonitrile,4-4-cyanophenyl benzonitrile,4-4-cyanophenyl benzenecarbonitrile
IUPAC Name 4-(4-cyanophenyl)benzonitrile
InChI Key KAXYYLCSSXFXKR-UHFFFAOYSA-N
Molecular Formula C14H8N2
3,772

(R)-(+)-1-(4-Bromophenyl)ethylamine, ChiPros, 99%, ee 98%

CAS: 45791-36-4 Molecular Formula: C8H10BrN Molecular Weight (g/mol): 200.079 MDL Number: MFCD00066025 InChI Key: SOZMSEPDYJGBEK-ZCFIWIBFSA-N Synonym: r-1-4-bromophenyl ethylamine,r-+-1-4-bromophenyl ethylamine,r-1-4-bromophenyl ethanamine,1r-1-4-bromophenyl ethanamine,1r-1-4-bromophenyl ethan-1-amine,r-1-4-bromophenyl-ethylamine,r-4-bromo-alpha-methylbenzylamine,r-+-4-bromo a-methylbenzylamine,p-bromo-a-methylbenzylamine,pubchem14234 PubChem CID: 853000 IUPAC Name: (1R)-1-(4-bromophenyl)ethanamine SMILES: CC(C1=CC=C(C=C1)Br)N

PubChem CID 853000
CAS 45791-36-4
Molecular Weight (g/mol) 200.079
MDL Number MFCD00066025
SMILES CC(C1=CC=C(C=C1)Br)N
Synonym r-1-4-bromophenyl ethylamine,r-+-1-4-bromophenyl ethylamine,r-1-4-bromophenyl ethanamine,1r-1-4-bromophenyl ethanamine,1r-1-4-bromophenyl ethan-1-amine,r-1-4-bromophenyl-ethylamine,r-4-bromo-alpha-methylbenzylamine,r-+-4-bromo a-methylbenzylamine,p-bromo-a-methylbenzylamine,pubchem14234
IUPAC Name (1R)-1-(4-bromophenyl)ethanamine
InChI Key SOZMSEPDYJGBEK-ZCFIWIBFSA-N
Molecular Formula C8H10BrN
3,773

3-(Pyrrolidin-1-ylmethyl)aniline, 97%, Thermo Scientific™

CAS: 183365-31-3 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.263 InChI Key: RZDBCURLSQNEAD-UHFFFAOYSA-N Synonym: 3-pyrrolidin-1-ylmethyl aniline,3-pyrrolidin-1-ylmethyl-phenylamine,benzenamine, 3-1-pyrrolidinylmethyl,3-1-pyrrolidinylmethyl aniline,3-pyrrolidinylmethyl phenylamine,3-pyrrolidinylmethylaniline,3-pyrrolidin-1-ylmethyl-aniline,3-1-pyrrolidinylmethyl benzenamine,3-pyrrolidin-1-yl-methyl-aniline,3-pyrrolidin-1-yl methyl aniline PubChem CID: 1096407 IUPAC Name: 3-(pyrrolidin-1-ylmethyl)aniline SMILES: C1CCN(C1)CC2=CC(=CC=C2)N

PubChem CID 1096407
CAS 183365-31-3
Molecular Weight (g/mol) 176.263
SMILES C1CCN(C1)CC2=CC(=CC=C2)N
Synonym 3-pyrrolidin-1-ylmethyl aniline,3-pyrrolidin-1-ylmethyl-phenylamine,benzenamine, 3-1-pyrrolidinylmethyl,3-1-pyrrolidinylmethyl aniline,3-pyrrolidinylmethyl phenylamine,3-pyrrolidinylmethylaniline,3-pyrrolidin-1-ylmethyl-aniline,3-1-pyrrolidinylmethyl benzenamine,3-pyrrolidin-1-yl-methyl-aniline,3-pyrrolidin-1-yl methyl aniline
IUPAC Name 3-(pyrrolidin-1-ylmethyl)aniline
InChI Key RZDBCURLSQNEAD-UHFFFAOYSA-N
Molecular Formula C11H16N2
3,774

1-Benzyloxy-4-iodobenzene, 98+%

CAS: 19578-68-8 Molecular Formula: C13H11IO Molecular Weight (g/mol): 310.134 MDL Number: MFCD00079704 InChI Key: MPWFGAWFTAZWKZ-UHFFFAOYSA-N PubChem CID: 519671 IUPAC Name: 1-iodo-4-phenylmethoxybenzene SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)I

PubChem CID 519671
CAS 19578-68-8
Molecular Weight (g/mol) 310.134
MDL Number MFCD00079704
SMILES C1=CC=C(C=C1)COC2=CC=C(C=C2)I
IUPAC Name 1-iodo-4-phenylmethoxybenzene
InChI Key MPWFGAWFTAZWKZ-UHFFFAOYSA-N
Molecular Formula C13H11IO
3,775

4-Bromoveratrole, 97%

CAS: 2859-78-1 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.062 MDL Number: MFCD00008381 InChI Key: KBTMGSMZIKLAHN-UHFFFAOYSA-N Synonym: 4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol PubChem CID: 76114 IUPAC Name: 4-bromo-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)Br)OC

PubChem CID 76114
CAS 2859-78-1
Molecular Weight (g/mol) 217.062
MDL Number MFCD00008381
SMILES COC1=C(C=C(C=C1)Br)OC
Synonym 4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol
IUPAC Name 4-bromo-1,2-dimethoxybenzene
InChI Key KBTMGSMZIKLAHN-UHFFFAOYSA-N
Molecular Formula C8H9BrO2
3,776

4-Chloro-2-fluoro-5-nitrotoluene, 98%

CAS: 18349-11-6 Molecular Formula: C7H5ClFNO2 Molecular Weight (g/mol): 189.57 MDL Number: MFCD00134231 InChI Key: SJDPAVRCQNFVDM-UHFFFAOYSA-N Synonym: 4-chloro-2-fluoro-5-nitrotoluene,1-chloro-5-fluoro-4-methyl-2-nitro-benzene,toluene, 4-chloro-2-fluoro-5-nitro,benzene,1-chloro-5-fluoro-4-methyl-2-nitro,benzene, 1-chloro-5-fluoro-4-methyl-2-nitro,acmc-1c7av,4-chloro-2-fluoro-5-nitro-toluene,buttpark 146\15-31,2-chloro-4-floro-5-methylnitrobenzene,2-chloro-4-fluoro-5-methylnitrobenzene PubChem CID: 87593 IUPAC Name: 1-chloro-5-fluoro-4-methyl-2-nitrobenzene SMILES: CC1=CC(=C(Cl)C=C1F)[N+]([O-])=O

PubChem CID 87593
CAS 18349-11-6
Molecular Weight (g/mol) 189.57
MDL Number MFCD00134231
SMILES CC1=CC(=C(Cl)C=C1F)[N+]([O-])=O
Synonym 4-chloro-2-fluoro-5-nitrotoluene,1-chloro-5-fluoro-4-methyl-2-nitro-benzene,toluene, 4-chloro-2-fluoro-5-nitro,benzene,1-chloro-5-fluoro-4-methyl-2-nitro,benzene, 1-chloro-5-fluoro-4-methyl-2-nitro,acmc-1c7av,4-chloro-2-fluoro-5-nitro-toluene,buttpark 146\15-31,2-chloro-4-floro-5-methylnitrobenzene,2-chloro-4-fluoro-5-methylnitrobenzene
IUPAC Name 1-chloro-5-fluoro-4-methyl-2-nitrobenzene
InChI Key SJDPAVRCQNFVDM-UHFFFAOYSA-N
Molecular Formula C7H5ClFNO2
3,777

4-Bromo-2-nitrophenylhydrazine hydrochloride, 95%

CAS: 100032-79-9 Molecular Formula: C6H7BrClN3O2 Molecular Weight (g/mol): 268.50 MDL Number: MFCD09260482 InChI Key: SIBURLORIWZQNT-UHFFFAOYSA-N Synonym: 4-bromo-2-nitrophenylhydrazine hydrochloride,4-bromo-2-nitrophenyl hydrazine hydrochloride,acmc-20amnd,4-bromo-2-nitrophenyl hydrazine;hydrochloride,4-bromo-2-nitrophenylhydrazinehydrochloride,4-bromo-2-nitrophenyl hydrazine-hydrogen chloride 1/1 PubChem CID: 44119379 IUPAC Name: (4-bromo-2-nitrophenyl)hydrazine;hydrochloride SMILES: Cl.NNC1=C(C=C(Br)C=C1)[N+]([O-])=O

PubChem CID 44119379
CAS 100032-79-9
Molecular Weight (g/mol) 268.50
MDL Number MFCD09260482
SMILES Cl.NNC1=C(C=C(Br)C=C1)[N+]([O-])=O
Synonym 4-bromo-2-nitrophenylhydrazine hydrochloride,4-bromo-2-nitrophenyl hydrazine hydrochloride,acmc-20amnd,4-bromo-2-nitrophenyl hydrazine;hydrochloride,4-bromo-2-nitrophenylhydrazinehydrochloride,4-bromo-2-nitrophenyl hydrazine-hydrogen chloride 1/1
IUPAC Name (4-bromo-2-nitrophenyl)hydrazine;hydrochloride
InChI Key SIBURLORIWZQNT-UHFFFAOYSA-N
Molecular Formula C6H7BrClN3O2
3,778

4-Isopropylphenol, 98%

CAS: 99-89-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002372 InChI Key: YQUQWHNMBPIWGK-UHFFFAOYSA-N Synonym: 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol PubChem CID: 7465 IUPAC Name: 4-propan-2-ylphenol SMILES: CC(C)C1=CC=C(C=C1)O

PubChem CID 7465
CAS 99-89-8
Molecular Weight (g/mol) 136.194
MDL Number MFCD00002372
SMILES CC(C)C1=CC=C(C=C1)O
Synonym 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol
IUPAC Name 4-propan-2-ylphenol
InChI Key YQUQWHNMBPIWGK-UHFFFAOYSA-N
Molecular Formula C9H12O
3,779

Sodium Salicylate, Crystal, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 54-21-7 Molecular Formula: C7H5NaO3 Molecular Weight (g/mol): 160.10 InChI Key: ABBQHOQBGMUPJH-UHFFFAOYSA-M IUPAC Name: sodium 2-hydroxybenzoate SMILES: [Na+].OC1=CC=CC=C1C([O-])=O

CAS 54-21-7
Molecular Weight (g/mol) 160.10
SMILES [Na+].OC1=CC=CC=C1C([O-])=O
IUPAC Name sodium 2-hydroxybenzoate
InChI Key ABBQHOQBGMUPJH-UHFFFAOYSA-M
Molecular Formula C7H5NaO3
3,780

4-Bromo-2-methylbenzaldehyde, 95%

CAS: 24078-12-4 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD07787171 InChI Key: RCBPVESMGNZMSG-UHFFFAOYSA-N Synonym: 4-bromo-2-methyl-benzaldehyde,2-methyl-4-bromobenzaldehyde,5-bromo-2-formyltoluene,benzaldehyde, 4-bromo-2-methyl,acmc-1chij,4-brom-2-methylbenzaldehyd,ksc494k3j,4-bromo-2-methyl benzaldehyde,benzaldehyde,4-bromo-2-methyl PubChem CID: 13555150 IUPAC Name: 4-bromo-2-methylbenzaldehyde SMILES: CC1=C(C=CC(=C1)Br)C=O

PubChem CID 13555150
CAS 24078-12-4
Molecular Weight (g/mol) 199.047
MDL Number MFCD07787171
SMILES CC1=C(C=CC(=C1)Br)C=O
Synonym 4-bromo-2-methyl-benzaldehyde,2-methyl-4-bromobenzaldehyde,5-bromo-2-formyltoluene,benzaldehyde, 4-bromo-2-methyl,acmc-1chij,4-brom-2-methylbenzaldehyd,ksc494k3j,4-bromo-2-methyl benzaldehyde,benzaldehyde,4-bromo-2-methyl
IUPAC Name 4-bromo-2-methylbenzaldehyde
InChI Key RCBPVESMGNZMSG-UHFFFAOYSA-N
Molecular Formula C8H7BrO