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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 (64,891)
Phenols (11,890)
Naphthalenes (4,957)
Fluorenes (1,242)
Unsubstituted Phenols (1,173)
Thiophenols (610)
Phenol esters (426)
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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8,446 – 8,460 of 73,759 results
8,446

2-Methyl-1,2'-dinaphthyl Ketone, TCI America™
SDP

CAS: 110876-52-3 Molecular Formula: C22H16O Molecular Weight (g/mol): 296.37 MDL Number: MFCD01321179 InChI Key: GCDFSVMEIZNGPZ-UHFFFAOYSA-N Synonym: 2-Methyl-1-naphthyl 2-Naphthyl Ketone PubChem CID: 22624812 IUPAC Name: (2-methylnaphthalen-1-yl)(naphthalen-2-yl)methanone SMILES: CC1=CC=C2C=CC=CC2=C1C(=O)C1=CC=C2C=CC=CC2=C1

PubChem CID 22624812
CAS 110876-52-3
Molecular Weight (g/mol) 296.37
MDL Number MFCD01321179
SMILES CC1=CC=C2C=CC=CC2=C1C(=O)C1=CC=C2C=CC=CC2=C1
Synonym 2-Methyl-1-naphthyl 2-Naphthyl Ketone
IUPAC Name (2-methylnaphthalen-1-yl)(naphthalen-2-yl)methanone
InChI Key GCDFSVMEIZNGPZ-UHFFFAOYSA-N
Molecular Formula C22H16O
8,447

N-Benzyl-1,3-propanediamine 96.0+%, TCI America™
SDP

CAS: 13910-48-0 Molecular Formula: C10H16N2 Molecular Weight (g/mol): 164.25 MDL Number: MFCD00274361 InChI Key: RFLHDXQRFPJPRR-UHFFFAOYSA-N Synonym: n1-benzylpropane-1,3-diamine,3-benzylamino propylamine,n-benzylpropane-1,3-diamine,3-aminopropyl benzyl amine,n-benzyl-1,3-propanediamine,n-3-aminopropyl-n-benzylamine,3-aminopropyl benzylamine,n-benzylpropan-1,3-diamin,n-benzyltrimethylenediamine,n-3-aminopropyl benzylamine PubChem CID: 83811 IUPAC Name: (3-aminopropyl)(benzyl)amine SMILES: NCCCNCC1=CC=CC=C1

PubChem CID 83811
CAS 13910-48-0
Molecular Weight (g/mol) 164.25
MDL Number MFCD00274361
SMILES NCCCNCC1=CC=CC=C1
Synonym n1-benzylpropane-1,3-diamine,3-benzylamino propylamine,n-benzylpropane-1,3-diamine,3-aminopropyl benzyl amine,n-benzyl-1,3-propanediamine,n-3-aminopropyl-n-benzylamine,3-aminopropyl benzylamine,n-benzylpropan-1,3-diamin,n-benzyltrimethylenediamine,n-3-aminopropyl benzylamine
IUPAC Name (3-aminopropyl)(benzyl)amine
InChI Key RFLHDXQRFPJPRR-UHFFFAOYSA-N
Molecular Formula C10H16N2
8,448

3-Bromo-5-fluorophenol 98.0+%, TCI America™
SDP

CAS: 433939-27-6 Molecular Formula: C6H4BrFO Molecular Weight (g/mol): 190.999 MDL Number: MFCD07783710 InChI Key: JCPJGUPQZDEZQH-UHFFFAOYSA-N Synonym: 3-fluoro-5-bromophenol,5-bromo-3-fluorophenol,3-bromo-5-fluoro-phenol,phenol, 3-bromo-5-fluoro,pubchem4129,acmc-1apwb,ksc493m6t,3-bromo-5-fluorophenol PubChem CID: 21904636 IUPAC Name: 3-bromo-5-fluorophenol SMILES: C1=C(C=C(C=C1F)Br)O

PubChem CID 21904636
CAS 433939-27-6
Molecular Weight (g/mol) 190.999
MDL Number MFCD07783710
SMILES C1=C(C=C(C=C1F)Br)O
Synonym 3-fluoro-5-bromophenol,5-bromo-3-fluorophenol,3-bromo-5-fluoro-phenol,phenol, 3-bromo-5-fluoro,pubchem4129,acmc-1apwb,ksc493m6t,3-bromo-5-fluorophenol
IUPAC Name 3-bromo-5-fluorophenol
InChI Key JCPJGUPQZDEZQH-UHFFFAOYSA-N
Molecular Formula C6H4BrFO
8,449

3,5-Bis(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
SDP

Molecular Weight (g/mol) 257.926
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(O)O
InChI Key BPTABBGLHGBJQR-UHFFFAOYSA-N
PubChem CID 156265
CAS 73852-19-4
MDL Number MFCD00051850
Synonym 3,5-bis trifluoromethyl phenylboronic acid,3,5-bis trifluoromethyl benzeneboronic acid,3,5-bis trifluoromethyl phenyl boronic acid,3,5-bis-trifluoromethylphenylboronic acid,3,5-bis trifluoromethylphenyl boronic acid
TSCA No
IUPAC Name [3,5-bis(trifluoromethyl)phenyl]boronic acid
Molecular Formula C8H5BF6O2
Formula Weight 257.93
Melting Point 220°C
8,450

1-Bromoanthracene (purified by sublimation) 98.0+%, TCI America™
SDP

CAS: 7397-92-4 Molecular Formula: C14H9Br Molecular Weight (g/mol): 257.13 MDL Number: MFCD08276282 InChI Key: XMWJLKOCNKJERQ-UHFFFAOYSA-N PubChem CID: 12529827 IUPAC Name: 1-bromoanthracene SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC=C3Br

PubChem CID 12529827
CAS 7397-92-4
Molecular Weight (g/mol) 257.13
MDL Number MFCD08276282
SMILES C1=CC=C2C=C3C(=CC2=C1)C=CC=C3Br
IUPAC Name 1-bromoanthracene
InChI Key XMWJLKOCNKJERQ-UHFFFAOYSA-N
Molecular Formula C14H9Br
8,451

DL-4-Hydroxymandelonitrile 98.0+%, TCI America™
SDP

CAS: 13093-65-7 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00056685 InChI Key: HOOOPXDSCKBLFG-MRVPVSSYSA-N Synonym: DL-alpha,4-Dihydroxyphenylacetonitrile PubChem CID: 166768 ChEBI: CHEBI:18115 IUPAC Name: (2S)-2-hydroxy-2-(4-hydroxyphenyl)acetonitrile SMILES: O[C@H](C#N)C1=CC=C(O)C=C1

PubChem CID 166768
CAS 13093-65-7
Molecular Weight (g/mol) 149.15
ChEBI CHEBI:18115
MDL Number MFCD00056685
SMILES O[C@H](C#N)C1=CC=C(O)C=C1
Synonym DL-alpha,4-Dihydroxyphenylacetonitrile
IUPAC Name (2S)-2-hydroxy-2-(4-hydroxyphenyl)acetonitrile
InChI Key HOOOPXDSCKBLFG-MRVPVSSYSA-N
Molecular Formula C8H7NO2
8,452

4-Fluorobenzyl Cyanide 98.0+%, TCI America™
SDP

CAS: 459-22-3 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.141 MDL Number: MFCD00001917 InChI Key: JHQBLYITVCBGTO-UHFFFAOYSA-N Synonym: 4-fluorophenylacetonitrile,4-fluorobenzyl cyanide,p-fluorobenzyl cyanide,benzeneacetonitrile, 4-fluoro,4-fluorobenzylcyanide,4-fluorobenzeneacetonitrile,p-fluorophenylacetonitrile,2-4-fluorophenyl acetonitrile,4-fluorobenzylnitrile,acetonitrile, p-fluorophenyl PubChem CID: 68016 IUPAC Name: 2-(4-fluorophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)F

PubChem CID 68016
CAS 459-22-3
Molecular Weight (g/mol) 135.141
MDL Number MFCD00001917
SMILES C1=CC(=CC=C1CC#N)F
Synonym 4-fluorophenylacetonitrile,4-fluorobenzyl cyanide,p-fluorobenzyl cyanide,benzeneacetonitrile, 4-fluoro,4-fluorobenzylcyanide,4-fluorobenzeneacetonitrile,p-fluorophenylacetonitrile,2-4-fluorophenyl acetonitrile,4-fluorobenzylnitrile,acetonitrile, p-fluorophenyl
IUPAC Name 2-(4-fluorophenyl)acetonitrile
InChI Key JHQBLYITVCBGTO-UHFFFAOYSA-N
Molecular Formula C8H6FN
8,453

2,3,4,5-Tetrafluorobenzonitrile 97.0+%, TCI America™
SDP

CAS: 16582-93-7 Molecular Formula: C7HF4N Molecular Weight (g/mol): 175.09 MDL Number: MFCD00040187 InChI Key: GLTGXIGJLCSEAM-UHFFFAOYSA-N Synonym: 2,3,4,5-tetrafluorobenzenecarbonitrile,tetrafluorobenzonitrile,pubchem9013,intermediates-zcf02243,acmc-1c97m,gltgxigjlcseam-uhfffaoysa,2,3,4,5-tetrafluorobenzonitrile_x000d_,2,3,4,5-tetrakis fluoranyl benzenecarbonitrile PubChem CID: 600224 IUPAC Name: 2,3,4,5-tetrafluorobenzonitrile SMILES: FC1=CC(C#N)=C(F)C(F)=C1F

PubChem CID 600224
CAS 16582-93-7
Molecular Weight (g/mol) 175.09
MDL Number MFCD00040187
SMILES FC1=CC(C#N)=C(F)C(F)=C1F
Synonym 2,3,4,5-tetrafluorobenzenecarbonitrile,tetrafluorobenzonitrile,pubchem9013,intermediates-zcf02243,acmc-1c97m,gltgxigjlcseam-uhfffaoysa,2,3,4,5-tetrafluorobenzonitrile_x000d_,2,3,4,5-tetrakis fluoranyl benzenecarbonitrile
IUPAC Name 2,3,4,5-tetrafluorobenzonitrile
InChI Key GLTGXIGJLCSEAM-UHFFFAOYSA-N
Molecular Formula C7HF4N
8,454

4-Methoxy-2-nitroaniline 98.0+%, TCI America™
SDP

CAS: 96-96-8 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.152 MDL Number: MFCD00007152 InChI Key: QFMJFXFXQAFGBO-UHFFFAOYSA-N Synonym: 2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt PubChem CID: 66793 ChEBI: CHEBI:48973 IUPAC Name: 4-methoxy-2-nitroaniline SMILES: COC1=CC(=C(C=C1)N)[N+](=O)[O-]

PubChem CID 66793
CAS 96-96-8
Molecular Weight (g/mol) 168.152
ChEBI CHEBI:48973
MDL Number MFCD00007152
SMILES COC1=CC(=C(C=C1)N)[N+](=O)[O-]
Synonym 2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt
IUPAC Name 4-methoxy-2-nitroaniline
InChI Key QFMJFXFXQAFGBO-UHFFFAOYSA-N
Molecular Formula C7H8N2O3
8,455

N'-Isopropylidene-2-nitrobenzenesulfonohydrazide 98.0+%, TCI America™
SDP

CAS: 6655-27-2 Molecular Formula: C9H11N3O4S Molecular Weight (g/mol): 257.264 MDL Number: MFCD09800525 InChI Key: SBNYNTYNEJTMQO-UHFFFAOYSA-N Synonym: IPNBSH PubChem CID: 11974266 SMILES: CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C

PubChem CID 11974266
CAS 6655-27-2
Molecular Weight (g/mol) 257.264
MDL Number MFCD09800525
SMILES CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C
Synonym IPNBSH
InChI Key SBNYNTYNEJTMQO-UHFFFAOYSA-N
Molecular Formula C9H11N3O4S
8,456

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

CAS: 19406-86-1 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00035936 InChI Key: VYBKAZXQKUFAHG-UHFFFAOYSA-N Synonym: benzamide, 3-amino-4-methyl,3-amino-p-toluamide,3-amino-4-methyl-benzamide,unii-51vb4677ff,atad,acmc-1c8qe,dsstox_cid_24407,dsstox_rid_80206,3-amino-4-methyl benzamide,3-azanyl-4-methyl-benzamide PubChem CID: 88043 IUPAC Name: 3-amino-4-methylbenzamide SMILES: CC1=C(C=C(C=C1)C(=O)N)N

PubChem CID 88043
CAS 19406-86-1
Molecular Weight (g/mol) 150.181
MDL Number MFCD00035936
SMILES CC1=C(C=C(C=C1)C(=O)N)N
Synonym benzamide, 3-amino-4-methyl,3-amino-p-toluamide,3-amino-4-methyl-benzamide,unii-51vb4677ff,atad,acmc-1c8qe,dsstox_cid_24407,dsstox_rid_80206,3-amino-4-methyl benzamide,3-azanyl-4-methyl-benzamide
IUPAC Name 3-amino-4-methylbenzamide
InChI Key VYBKAZXQKUFAHG-UHFFFAOYSA-N
Molecular Formula C8H10N2O
8,457

Mefenamic Acid 98.0+%, TCI America™
SDP

CAS: 61-68-7 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 MDL Number: MFCD00051721 InChI Key: HYYBABOKPJLUIN-UHFFFAOYSA-N Synonym: mefenamic acid,ponstel,ponstan,2-2,3-dimethylphenyl amino benzoic acid,mephenamic acid,parkemed,coslan,mefacit,ponalar,methenamic acid PubChem CID: 4044 ChEBI: CHEBI:6717 IUPAC Name: 2-(2,3-dimethylanilino)benzoic acid SMILES: CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C

PubChem CID 4044
CAS 61-68-7
Molecular Weight (g/mol) 241.29
ChEBI CHEBI:6717
MDL Number MFCD00051721
SMILES CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C
Synonym mefenamic acid,ponstel,ponstan,2-2,3-dimethylphenyl amino benzoic acid,mephenamic acid,parkemed,coslan,mefacit,ponalar,methenamic acid
IUPAC Name 2-(2,3-dimethylanilino)benzoic acid
InChI Key HYYBABOKPJLUIN-UHFFFAOYSA-N
Molecular Formula C15H15NO2
8,458

3-Aminophthalic Acid 95.0+%, TCI America™
SDP

CAS: 5434-20-8 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 InChI Key: WGLQHUKCXBXUDV-UHFFFAOYSA-N Synonym: 3-amino-1,2-benzenedicarboxylic acid,phthalic acid, 3-amino,3-aminophthalicacid,1,2-benzenedicarboxylic acid, 3-amino,3-amino-phthalic acid,unii-7xv0v19zdg,3-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, amino,7xv0v19zdg,aminophthalic acid PubChem CID: 79490 IUPAC Name: 3-aminophthalic acid SMILES: C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O

PubChem CID 79490
CAS 5434-20-8
Molecular Weight (g/mol) 181.147
SMILES C1=CC(=C(C(=C1)N)C(=O)O)C(=O)O
Synonym 3-amino-1,2-benzenedicarboxylic acid,phthalic acid, 3-amino,3-aminophthalicacid,1,2-benzenedicarboxylic acid, 3-amino,3-amino-phthalic acid,unii-7xv0v19zdg,3-aminobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, amino,7xv0v19zdg,aminophthalic acid
IUPAC Name 3-aminophthalic acid
InChI Key WGLQHUKCXBXUDV-UHFFFAOYSA-N
Molecular Formula C8H7NO4
8,459

3-Amino-4-bromobenzoic Acid 98.0+%, TCI America™
SDP

CAS: 2840-29-1 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00579106 InChI Key: TZFJADFQEBASQU-UHFFFAOYSA-N Synonym: 3-amino-4-bromo-benzoic acid,benzoic acid, 3-amino-4-bromo,3-amino-4-bromobenzoicacid,acmc-1cpid,4-brom-3-aminobenzoesaure,ksc494k6h,3-amino-4-bromobenzoic acid,3-amino-4-bromo benzoic acid PubChem CID: 3418752 IUPAC Name: 3-amino-4-bromobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)N)Br

PubChem CID 3418752
CAS 2840-29-1
Molecular Weight (g/mol) 216.034
MDL Number MFCD00579106
SMILES C1=CC(=C(C=C1C(=O)O)N)Br
Synonym 3-amino-4-bromo-benzoic acid,benzoic acid, 3-amino-4-bromo,3-amino-4-bromobenzoicacid,acmc-1cpid,4-brom-3-aminobenzoesaure,ksc494k6h,3-amino-4-bromobenzoic acid,3-amino-4-bromo benzoic acid
IUPAC Name 3-amino-4-bromobenzoic acid
InChI Key TZFJADFQEBASQU-UHFFFAOYSA-N
Molecular Formula C7H6BrNO2
8,460

2-Amino-4-(trifluoromethyl)benzoic Acid 97.0+%, TCI America™
SDP

CAS: 402-13-1 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.136 MDL Number: MFCD00519334 InChI Key: NQTLZJODEOHALT-UHFFFAOYSA-N Synonym: 4-(Trifluoromethyl)anthranilic Acid PubChem CID: 67869 IUPAC Name: 2-amino-4-(trifluoromethyl)benzoic acid SMILES: C1=CC(=C(C=C1C(F)(F)F)N)C(=O)O

PubChem CID 67869
CAS 402-13-1
Molecular Weight (g/mol) 205.136
MDL Number MFCD00519334
SMILES C1=CC(=C(C=C1C(F)(F)F)N)C(=O)O
Synonym 4-(Trifluoromethyl)anthranilic Acid
IUPAC Name 2-amino-4-(trifluoromethyl)benzoic acid
InChI Key NQTLZJODEOHALT-UHFFFAOYSA-N
Molecular Formula C8H6F3NO2