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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 (69,998)
Phenols (14,422)
Naphthalenes (5,235)
Fluorenes (1,242)
Unsubstituted Phenols (1,170)
Thiophenols (619)
Phenol esters (564)
Anthracenes (453)
Indanes (334)
Phenanthrenes and derivatives (334)
Tetralins (333)
Triphenyl compounds (277)
Pyrenes (245)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Acenaphthylenes (17)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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4,171 – 4,185 of 82,110 results
4,171

2-Chloro-5-nitrobenzotrifluoride, 98%

CAS: 777-37-7 Molecular Formula: C7H3ClF3NO2 Molecular Weight (g/mol): 225.55 MDL Number: MFCD00007296 InChI Key: HQROXDLWVGFPDE-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzotrifluoride,1-chloro-4-nitro-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl nitrobenzene,benzene, 1-chloro-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-chloronitrobenzene,2-trifluoromethyl-4-nitrochlorobenzene,2-chloro-5-nitro-a,a,a-trifluorotoluene,4-nitro-2-trifluoromethyl chlorobenzene,1-chloro-2-trifluoromethyl-4-nitrobenzene,5-nitro-2-chlorobenzotrifluoride PubChem CID: 61213 IUPAC Name: 1-chloro-4-nitro-2-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC=C(Cl)C(=C1)C(F)(F)F

PubChem CID 61213
CAS 777-37-7
Molecular Weight (g/mol) 225.55
MDL Number MFCD00007296
SMILES [O-][N+](=O)C1=CC=C(Cl)C(=C1)C(F)(F)F
Synonym 2-chloro-5-nitrobenzotrifluoride,1-chloro-4-nitro-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl nitrobenzene,benzene, 1-chloro-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-chloronitrobenzene,2-trifluoromethyl-4-nitrochlorobenzene,2-chloro-5-nitro-a,a,a-trifluorotoluene,4-nitro-2-trifluoromethyl chlorobenzene,1-chloro-2-trifluoromethyl-4-nitrobenzene,5-nitro-2-chlorobenzotrifluoride
IUPAC Name 1-chloro-4-nitro-2-(trifluoromethyl)benzene
InChI Key HQROXDLWVGFPDE-UHFFFAOYSA-N
Molecular Formula C7H3ClF3NO2
4,172

4-(Trifluoromethyl)benzhydrazide, 98%

CAS: 339-59-3 Molecular Formula: C8H7F3N2O Molecular Weight (g/mol): 204.15 MDL Number: MFCD00051703 InChI Key: GKBDXTNCBPZMFX-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzhydrazide,4-trifluoromethyl benzohydrazide,4-trifluoromethyl benzoic acid hydrazide,4-trifluoromethylbenzhydrazide,4-trifluoromethylbenzoic acid hydrazide,4-trifluoromethyl benzene-1-carbohydrazide,1-trifluoromethyl benzene-4-carbohydrazide,alpha,alpha,alpha-trifluoro-p-toluic acid hydrazide,benzoic acid, 4-trifluoromethyl-, hydrazide,pubchem4506 PubChem CID: 520662 IUPAC Name: 4-(trifluoromethyl)benzohydrazide SMILES: NNC(=O)C1=CC=C(C=C1)C(F)(F)F

PubChem CID 520662
CAS 339-59-3
Molecular Weight (g/mol) 204.15
MDL Number MFCD00051703
SMILES NNC(=O)C1=CC=C(C=C1)C(F)(F)F
Synonym 4-trifluoromethyl benzhydrazide,4-trifluoromethyl benzohydrazide,4-trifluoromethyl benzoic acid hydrazide,4-trifluoromethylbenzhydrazide,4-trifluoromethylbenzoic acid hydrazide,4-trifluoromethyl benzene-1-carbohydrazide,1-trifluoromethyl benzene-4-carbohydrazide,alpha,alpha,alpha-trifluoro-p-toluic acid hydrazide,benzoic acid, 4-trifluoromethyl-, hydrazide,pubchem4506
IUPAC Name 4-(trifluoromethyl)benzohydrazide
InChI Key GKBDXTNCBPZMFX-UHFFFAOYSA-N
Molecular Formula C8H7F3N2O
4,173

N-Ethylbenzylamine, 95%

CAS: 14321-27-8 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00009031 InChI Key: HVAAHUDGWQAAOJ-UHFFFAOYSA-N Synonym: n-ethylbenzylamine,benzenemethanamine, n-ethyl,ethylbenzylamine,n-benzylethylamine,benzyl ethyl amine,benzylamine, n-ethyl,benzylethylamine,unii-mm8324ke8v,n-benzyl-n-ethylamine,benzyl-ethyl-amine PubChem CID: 84352 IUPAC Name: N-benzylethanamine SMILES: CCNCC1=CC=CC=C1

PubChem CID 84352
CAS 14321-27-8
Molecular Weight (g/mol) 135.21
MDL Number MFCD00009031
SMILES CCNCC1=CC=CC=C1
Synonym n-ethylbenzylamine,benzenemethanamine, n-ethyl,ethylbenzylamine,n-benzylethylamine,benzyl ethyl amine,benzylamine, n-ethyl,benzylethylamine,unii-mm8324ke8v,n-benzyl-n-ethylamine,benzyl-ethyl-amine
IUPAC Name N-benzylethanamine
InChI Key HVAAHUDGWQAAOJ-UHFFFAOYSA-N
Molecular Formula C9H13N
4,174

3,4-Dimethylphenol, 99%

CAS: 95-65-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002304 InChI Key: YCOXTKKNXUZSKD-UHFFFAOYSA-N Synonym: 3,4-xylenol,phenol, 3,4-dimethyl,4,5-dimethylphenol,3,4-dimethyl phenol,1,3,4-xylenol,4-hydroxy-1,2-dimethylbenzene,1-hydroxy-3,4-dimethylbenzene,3,4-dimethyl-phenol,3,4-dmp,ccris 723 PubChem CID: 7249 ChEBI: CHEBI:39839 IUPAC Name: 3,4-dimethylphenol SMILES: CC1=CC=C(O)C=C1C

PubChem CID 7249
CAS 95-65-8
Molecular Weight (g/mol) 122.17
ChEBI CHEBI:39839
MDL Number MFCD00002304
SMILES CC1=CC=C(O)C=C1C
Synonym 3,4-xylenol,phenol, 3,4-dimethyl,4,5-dimethylphenol,3,4-dimethyl phenol,1,3,4-xylenol,4-hydroxy-1,2-dimethylbenzene,1-hydroxy-3,4-dimethylbenzene,3,4-dimethyl-phenol,3,4-dmp,ccris 723
IUPAC Name 3,4-dimethylphenol
InChI Key YCOXTKKNXUZSKD-UHFFFAOYSA-N
Molecular Formula C8H10O
4,175

2-Methoxy-4-nitroaniline, 98%

CAS: 97-52-9 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00007363 InChI Key: GVBHRNIWBGTNQA-UHFFFAOYSA-N Synonym: fast red b base,benzenamine, 2-methoxy-4-nitro,4-nitro-o-anisidine,fast red base b,fast red b,red b base,diazo fast red b,2-amino-5-nitroanisole,azoamine pink o,fast red 5na base PubChem CID: 7337 IUPAC Name: 2-methoxy-4-nitroaniline SMILES: COC1=CC(=CC=C1N)[N+]([O-])=O

PubChem CID 7337
CAS 97-52-9
Molecular Weight (g/mol) 168.15
MDL Number MFCD00007363
SMILES COC1=CC(=CC=C1N)[N+]([O-])=O
Synonym fast red b base,benzenamine, 2-methoxy-4-nitro,4-nitro-o-anisidine,fast red base b,fast red b,red b base,diazo fast red b,2-amino-5-nitroanisole,azoamine pink o,fast red 5na base
IUPAC Name 2-methoxy-4-nitroaniline
InChI Key GVBHRNIWBGTNQA-UHFFFAOYSA-N
Molecular Formula C7H8N2O3
4,176

2-Nitrobenzaldehyde, Spectrum™ Chemical
SDP

CAS: 552-89-6

CAS 552-89-6
4,177

5-Nitrovanillin, 97%

CAS: 6635-20-7 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007118 InChI Key: ZEHYRTJBFMZHCY-UHFFFAOYSA-N Synonym: 5-nitrovanillin,4-hydroxy-3-methoxy-5-nitrobenzaldehyde,vanillin, 5-nitro,benzaldehyde, 4-hydroxy-3-methoxy-5-nitro,3-methoxy-4-hydroxy-5-nitrobenzaldhyde,3-methoxy-4-hydroxy-5-nitrobenzaldehyde,4-hydroxy-3-methoxy-5-nitro-benzaldehyde,4-hydroxy-3-nitro-5-methoxybenzaldehyde,4-hydroxy-5-methoxy-3-nitrobenzaldehyde,5-nitrovanilline PubChem CID: 81134 ChEBI: CHEBI:48385 SMILES: COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O

PubChem CID 81134
CAS 6635-20-7
Molecular Weight (g/mol) 197.146
ChEBI CHEBI:48385
MDL Number MFCD00007118
SMILES COC1=CC(=CC(=C1O)[N+](=O)[O-])C=O
Synonym 5-nitrovanillin,4-hydroxy-3-methoxy-5-nitrobenzaldehyde,vanillin, 5-nitro,benzaldehyde, 4-hydroxy-3-methoxy-5-nitro,3-methoxy-4-hydroxy-5-nitrobenzaldhyde,3-methoxy-4-hydroxy-5-nitrobenzaldehyde,4-hydroxy-3-methoxy-5-nitro-benzaldehyde,4-hydroxy-3-nitro-5-methoxybenzaldehyde,4-hydroxy-5-methoxy-3-nitrobenzaldehyde,5-nitrovanilline
InChI Key ZEHYRTJBFMZHCY-UHFFFAOYSA-N
Molecular Formula C8H7NO5
4,178

4-Hydroxy-3-nitrobenzaldehyde, 97%

CAS: 3011-34-5 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007117 InChI Key: YTHJCZRFJGXPTL-UHFFFAOYSA-N Synonym: 4-hydroxy-3-nitrobenzaldehyde,benzaldehyde, 4-hydroxy-3-nitro,3-nitro-4-hydroxybenzaldehyde,4-formyl-2-nitrophenol,4-hydroxy-3-nitro-benzaldehyde,pubchem8135,acmc-1cjnu,d03vzf,4-hydroxy-3-nitrobenzaldeyde,ksc223k5f PubChem CID: 18169 SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])O

PubChem CID 18169
CAS 3011-34-5
Molecular Weight (g/mol) 167.12
MDL Number MFCD00007117
SMILES C1=CC(=C(C=C1C=O)[N+](=O)[O-])O
Synonym 4-hydroxy-3-nitrobenzaldehyde,benzaldehyde, 4-hydroxy-3-nitro,3-nitro-4-hydroxybenzaldehyde,4-formyl-2-nitrophenol,4-hydroxy-3-nitro-benzaldehyde,pubchem8135,acmc-1cjnu,d03vzf,4-hydroxy-3-nitrobenzaldeyde,ksc223k5f
InChI Key YTHJCZRFJGXPTL-UHFFFAOYSA-N
Molecular Formula C7H5NO4
4,179

2-Fluoro-5-nitrobenzaldehyde, 98%

CAS: 27996-87-8 Molecular Formula: C7H4FNO3 Molecular Weight (g/mol): 169.111 MDL Number: MFCD00042298 InChI Key: VVXFDFQEIRGULC-UHFFFAOYSA-N Synonym: fluoro nitrobenzaldehyde,5-nitro-2-fluorobenzaldehyde,4-fluoro-3-formylnitrobenzene,2-fluoro-5-nitro-benzaldehyde,benzaldehyde, 2-fluoro-5-nitro,pubchem1459,acmc-209h0h,akos bb460,asischem d51510,2-fluoro-5 nitrobenzaldehyde PubChem CID: 2734770 IUPAC Name: 2-fluoro-5-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=O)F

PubChem CID 2734770
CAS 27996-87-8
Molecular Weight (g/mol) 169.111
MDL Number MFCD00042298
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C=O)F
Synonym fluoro nitrobenzaldehyde,5-nitro-2-fluorobenzaldehyde,4-fluoro-3-formylnitrobenzene,2-fluoro-5-nitro-benzaldehyde,benzaldehyde, 2-fluoro-5-nitro,pubchem1459,acmc-209h0h,akos bb460,asischem d51510,2-fluoro-5 nitrobenzaldehyde
IUPAC Name 2-fluoro-5-nitrobenzaldehyde
InChI Key VVXFDFQEIRGULC-UHFFFAOYSA-N
Molecular Formula C7H4FNO3
4,180

4-Hydroxythiophenol, 97%

CAS: 637-89-8 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.17 MDL Number: MFCD00004850 InChI Key: BXAVKNRWVKUTLY-UHFFFAOYSA-N Synonym: 4-mercaptophenol,4-hydroxythiophenol,4-hydroxybenzenethiol,p-hydroxythiophenol,phenol, 4-mercapto,p-mercaptophenol,thiohydroquinone,monothiohydroquinone,4-hydroxy thiophenol,hydroquinone, monothio PubChem CID: 240147 IUPAC Name: 4-sulfanylphenol SMILES: OC1=CC=C(S)C=C1

PubChem CID 240147
CAS 637-89-8
Molecular Weight (g/mol) 126.17
MDL Number MFCD00004850
SMILES OC1=CC=C(S)C=C1
Synonym 4-mercaptophenol,4-hydroxythiophenol,4-hydroxybenzenethiol,p-hydroxythiophenol,phenol, 4-mercapto,p-mercaptophenol,thiohydroquinone,monothiohydroquinone,4-hydroxy thiophenol,hydroquinone, monothio
IUPAC Name 4-sulfanylphenol
InChI Key BXAVKNRWVKUTLY-UHFFFAOYSA-N
Molecular Formula C6H6OS
4,181

1-Phenoxy-2-propanol, tech. 85%

CAS: 770-35-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00016861 InChI Key: IBLKWZIFZMJLFL-UHFFFAOYNA-N Synonym: 1-phenoxy-2-propanol,2-propanol, 1-phenoxy,phenoxyisopropanol,propylene phenoxetol,2-phenoxy-1-methylethanol,1-phenoxy-propan-2-ol,phenyl-.beta.-hydroxypropyl ether,dsstox_cid_7312,dsstox_rid_78402,dsstox_gsid_27312 PubChem CID: 92839 IUPAC Name: 1-phenoxypropan-2-ol SMILES: CC(O)COC1=CC=CC=C1

PubChem CID 92839
CAS 770-35-4
Molecular Weight (g/mol) 152.19
MDL Number MFCD00016861
SMILES CC(O)COC1=CC=CC=C1
Synonym 1-phenoxy-2-propanol,2-propanol, 1-phenoxy,phenoxyisopropanol,propylene phenoxetol,2-phenoxy-1-methylethanol,1-phenoxy-propan-2-ol,phenyl-.beta.-hydroxypropyl ether,dsstox_cid_7312,dsstox_rid_78402,dsstox_gsid_27312
IUPAC Name 1-phenoxypropan-2-ol
InChI Key IBLKWZIFZMJLFL-UHFFFAOYNA-N
Molecular Formula C9H12O2
4,182

n-Butyl phenyl ether, 99%

CAS: 1126-79-0 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00009438 InChI Key: YFNONBGXNFCTMM-UHFFFAOYSA-N Synonym: butyl phenyl ether,n-butyl phenyl ether,benzene, butoxy,ether, butyl phenyl,phenyl butyl ether,butoxyphenyl,n-butoxybenzene,butyloxy benzene,n-butylphenylether,butoxy-benzene PubChem CID: 14311 IUPAC Name: butoxybenzene SMILES: CCCCOC1=CC=CC=C1

PubChem CID 14311
CAS 1126-79-0
Molecular Weight (g/mol) 150.221
MDL Number MFCD00009438
SMILES CCCCOC1=CC=CC=C1
Synonym butyl phenyl ether,n-butyl phenyl ether,benzene, butoxy,ether, butyl phenyl,phenyl butyl ether,butoxyphenyl,n-butoxybenzene,butyloxy benzene,n-butylphenylether,butoxy-benzene
IUPAC Name butoxybenzene
InChI Key YFNONBGXNFCTMM-UHFFFAOYSA-N
Molecular Formula C10H14O
4,183

2-Nitro-m-xylene, 99%

CAS: 81-20-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007181 InChI Key: HDFQKJQEWGVKCQ-UHFFFAOYSA-N Synonym: 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134 PubChem CID: 6672 IUPAC Name: 1,3-dimethyl-2-nitrobenzene SMILES: CC1=C(C(=CC=C1)C)[N+](=O)[O-]

PubChem CID 6672
CAS 81-20-9
Molecular Weight (g/mol) 151.165
MDL Number MFCD00007181
SMILES CC1=C(C(=CC=C1)C)[N+](=O)[O-]
Synonym 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134
IUPAC Name 1,3-dimethyl-2-nitrobenzene
InChI Key HDFQKJQEWGVKCQ-UHFFFAOYSA-N
Molecular Formula C8H9NO2
4,184

Cinnamaldoxime, (E)+(Z), 98%

CAS: 13372-81-1 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00019969 InChI Key: RUQDOYIAKHIMAN-DAAQNPAKSA-N Synonym: cinnamaldehyde oxime,3-phenylacrylaldehyde oxime,phenylacrylaldehyde oxime,e-n-2e-3-phenylprop-2-en-1-ylidene hydroxylamine,n-hydroxy-3-phenylprop-2-en-1-imine,n-3-phenylprop-2-en-1-ylidene hydroxylamine,3-phenylpropenal oxime,benzeneacrylaldehydeoxime,3-phenyl-2-propenal oxime,cinnamaldoxime, e + z PubChem CID: 9561350 IUPAC Name: (NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine SMILES: O\N=C\C=C\C1=CC=CC=C1

PubChem CID 9561350
CAS 13372-81-1
Molecular Weight (g/mol) 147.18
MDL Number MFCD00019969
SMILES O\N=C\C=C\C1=CC=CC=C1
Synonym cinnamaldehyde oxime,3-phenylacrylaldehyde oxime,phenylacrylaldehyde oxime,e-n-2e-3-phenylprop-2-en-1-ylidene hydroxylamine,n-hydroxy-3-phenylprop-2-en-1-imine,n-3-phenylprop-2-en-1-ylidene hydroxylamine,3-phenylpropenal oxime,benzeneacrylaldehydeoxime,3-phenyl-2-propenal oxime,cinnamaldoxime, e + z
IUPAC Name (NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine
InChI Key RUQDOYIAKHIMAN-DAAQNPAKSA-N
Molecular Formula C9H9NO
4,185

N-Phenylurethane, 98%

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