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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 (67,303)
Phenols (13,190)
Naphthalenes (5,046)
Fluorenes (1,235)
Unsubstituted Phenols (1,163)
Thiophenols (617)
Phenol esters (557)
Anthracenes (412)
Tetralins (327)
Phenanthrenes and derivatives (326)
Indanes (309)
Triphenyl compounds (277)
Pyrenes (227)
Dibenzocycloheptenes (62)
Naphthacenes (36)
Ellagic acids and derivatives (33)
Pentacenes (19)
Pentacenequinones (16)
Acenaphthylenes (15)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (6)

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8,656 – 8,670 of 77,857 results
8,656

4-(Methylthio)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™

PubChem CID 2733959
CAS 98546-51-1
Molecular Weight (g/mol) 168.017
MDL Number MFCD00093410
Color White-Yellow
Physical Form Crystalline Powder
SMILES B(C1=CC=C(C=C1)SC)(O)O
TSCA No
IUPAC Name (4-methylsulfanylphenyl)boronic acid
InChI Key IVUHTLFKBDDICS-UHFFFAOYSA-N
Molecular Formula C7H9BO2S
Formula Weight 168.02
Melting Point 213°C
8,657

2-Naphthalenethiol 98.0+%, TCI America™

CAS: 91-60-1 Molecular Formula: C10H8S Molecular Weight (g/mol): 160.234 MDL Number: MFCD00004086 InChI Key: RFCQDOVPMUSZMN-UHFFFAOYSA-N Synonym: 2-naphthalenethiol,2-mercaptonaphthalene,2-thionaphthol,thionaphthol,2-naphthyl mercaptan,vulcamel tbn,2-naphthyl thiol,renacit 1,rpa no. 2,rpa 2 PubChem CID: 7058 IUPAC Name: naphthalene-2-thiol SMILES: C1=CC=C2C=C(C=CC2=C1)S

PubChem CID 7058
CAS 91-60-1
Molecular Weight (g/mol) 160.234
MDL Number MFCD00004086
SMILES C1=CC=C2C=C(C=CC2=C1)S
Synonym 2-naphthalenethiol,2-mercaptonaphthalene,2-thionaphthol,thionaphthol,2-naphthyl mercaptan,vulcamel tbn,2-naphthyl thiol,renacit 1,rpa no. 2,rpa 2
IUPAC Name naphthalene-2-thiol
InChI Key RFCQDOVPMUSZMN-UHFFFAOYSA-N
Molecular Formula C10H8S
8,658

2-Chlorothioanisole 98.0+%, TCI America™

CAS: 17733-22-1 Molecular Formula: C7H7ClS Molecular Weight (g/mol): 158.64 MDL Number: MFCD00040124 InChI Key: IHLDFHCSSCVPQW-UHFFFAOYSA-N Synonym: 2-Chlorophenyl Methyl Sulfide, 1-Chloro-2-(methylthio)benzene PubChem CID: 2737363 IUPAC Name: 1-chloro-2-(methylsulfanyl)benzene SMILES: CSC1=CC=CC=C1Cl

PubChem CID 2737363
CAS 17733-22-1
Molecular Weight (g/mol) 158.64
MDL Number MFCD00040124
SMILES CSC1=CC=CC=C1Cl
Synonym 2-Chlorophenyl Methyl Sulfide, 1-Chloro-2-(methylthio)benzene
IUPAC Name 1-chloro-2-(methylsulfanyl)benzene
InChI Key IHLDFHCSSCVPQW-UHFFFAOYSA-N
Molecular Formula C7H7ClS
8,659

4-Fluorobenzenethiol 98.0+%, TCI America™

CAS: 371-42-6 Molecular Formula: C6H5FS Molecular Weight (g/mol): 128.164 MDL Number: MFCD00004846 InChI Key: OKIHXNKYYGUVTE-UHFFFAOYSA-N Synonym: 4-fluorothiophenol,p-fluorothiophenol,4-fluorobenzene-1-thiol,4-fluoro thiophenol,p-fluorophenyl mercaptan,benzenethiol, 4-fluoro,4-fluoro-benzenethiol,4-mercaptofluorobenzene,4-fluorthiophenol,p-fluoro-thiophenol PubChem CID: 67789 IUPAC Name: 4-fluorobenzenethiol SMILES: C1=CC(=CC=C1F)S

PubChem CID 67789
CAS 371-42-6
Molecular Weight (g/mol) 128.164
MDL Number MFCD00004846
SMILES C1=CC(=CC=C1F)S
Synonym 4-fluorothiophenol,p-fluorothiophenol,4-fluorobenzene-1-thiol,4-fluoro thiophenol,p-fluorophenyl mercaptan,benzenethiol, 4-fluoro,4-fluoro-benzenethiol,4-mercaptofluorobenzene,4-fluorthiophenol,p-fluoro-thiophenol
IUPAC Name 4-fluorobenzenethiol
InChI Key OKIHXNKYYGUVTE-UHFFFAOYSA-N
Molecular Formula C6H5FS
8,660

2,4,5-Trichlorobenzenethiol 97.0+%, TCI America™

CAS: 3773-14-6 Molecular Formula: C6H3Cl3S Molecular Weight (g/mol): 213.5 MDL Number: MFCD00014447 InChI Key: JARIALSGFXECCH-UHFFFAOYSA-N Synonym: 2,4,5-trichlorothiophenol,renacit ii,benzenethiol, 2,4,5-trichloro,2,4,5-trichlorobenzene-1-thiol,acmc-209iv9,2,4,5-trichloro-thiophenol,2,4,5-trichlorophenyl mercaptan,2,4,5-tris chloranyl benzenethiol,n-memet-n-trimetsilylmet benzylamine PubChem CID: 19597 IUPAC Name: 2,4,5-trichlorobenzenethiol SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)S

PubChem CID 19597
CAS 3773-14-6
Molecular Weight (g/mol) 213.5
MDL Number MFCD00014447
SMILES C1=C(C(=CC(=C1Cl)Cl)Cl)S
Synonym 2,4,5-trichlorothiophenol,renacit ii,benzenethiol, 2,4,5-trichloro,2,4,5-trichlorobenzene-1-thiol,acmc-209iv9,2,4,5-trichloro-thiophenol,2,4,5-trichlorophenyl mercaptan,2,4,5-tris chloranyl benzenethiol,n-memet-n-trimetsilylmet benzylamine
IUPAC Name 2,4,5-trichlorobenzenethiol
InChI Key JARIALSGFXECCH-UHFFFAOYSA-N
Molecular Formula C6H3Cl3S
8,661

4-Hydroxybenzenethiol 97.0+%, TCI America™

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
8,662

3,5-Dinitrobenzotrifluoride 98.0+%, TCI America™

CAS: 401-99-0 Molecular Formula: C7H3F3N2O4 Molecular Weight (g/mol): 236.106 MDL Number: MFCD00007233 InChI Key: QZADIXWDDVQVKM-UHFFFAOYSA-N PubChem CID: 123060 IUPAC Name: 1,3-dinitro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F

PubChem CID 123060
CAS 401-99-0
Molecular Weight (g/mol) 236.106
MDL Number MFCD00007233
SMILES C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F
IUPAC Name 1,3-dinitro-5-(trifluoromethyl)benzene
InChI Key QZADIXWDDVQVKM-UHFFFAOYSA-N
Molecular Formula C7H3F3N2O4
8,663

4-Fluoro-2-(trifluoromethyl)benzonitrile 98.0+%, TCI America™

CAS: 194853-86-6 Molecular Formula: C8H3F4N Molecular Weight (g/mol): 189.11 MDL Number: MFCD00061283 InChI Key: LCCPQUYXMFXCAC-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-fluorobenzonitrile,4-fluoro-2-trifluoromethyl-benzonitrile,2-cyano-5-fluorobenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolunitrile,benzonitrile, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzenecarbonitrile,pubchem4802 PubChem CID: 605085 IUPAC Name: 4-fluoro-2-(trifluoromethyl)benzonitrile SMILES: FC1=CC=C(C#N)C(=C1)C(F)(F)F

PubChem CID 605085
CAS 194853-86-6
Molecular Weight (g/mol) 189.11
MDL Number MFCD00061283
SMILES FC1=CC=C(C#N)C(=C1)C(F)(F)F
Synonym 4-fluoro-2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-fluorobenzonitrile,4-fluoro-2-trifluoromethyl-benzonitrile,2-cyano-5-fluorobenzotrifluoride,alpha,alpha,alpha,4-tetrafluoro-o-tolunitrile,benzonitrile, 4-fluoro-2-trifluoromethyl,4-fluoro-2-trifluoromethyl benzenecarbonitrile,pubchem4802
IUPAC Name 4-fluoro-2-(trifluoromethyl)benzonitrile
InChI Key LCCPQUYXMFXCAC-UHFFFAOYSA-N
Molecular Formula C8H3F4N
8,664

[3-(Trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium Trifluoromethanesulfonate 98.0+%, TCI America™

CAS: 1204518-08-0 Molecular Formula: C17H15F6IO3S Molecular Weight (g/mol): 540.259 MDL Number: MFCD20264880 InChI Key: FKQZCCNYTGBVPK-UHFFFAOYSA-M Synonym: Mesityl[3-(trifluoromethyl)phenyl]iodonium Triflate PubChem CID: 45379265 IUPAC Name: trifluoromethanesulfonate;[3-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium SMILES: CC1=CC(=C(C(=C1)C)[I+]C2=CC=CC(=C2)C(F)(F)F)C.C(F)(F)(F)S(=O)(=O)[O-]

PubChem CID 45379265
CAS 1204518-08-0
Molecular Weight (g/mol) 540.259
MDL Number MFCD20264880
SMILES CC1=CC(=C(C(=C1)C)[I+]C2=CC=CC(=C2)C(F)(F)F)C.C(F)(F)(F)S(=O)(=O)[O-]
Synonym Mesityl[3-(trifluoromethyl)phenyl]iodonium Triflate
IUPAC Name trifluoromethanesulfonate;[3-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)iodanium
InChI Key FKQZCCNYTGBVPK-UHFFFAOYSA-M
Molecular Formula C17H15F6IO3S
8,665

5-Fluoro-2-nitrobenzotrifluoride 98.0+%, TCI America™

CAS: 393-09-9 Molecular Formula: C7H3F4NO2 Molecular Weight (g/mol): 209.1 MDL Number: MFCD00039741 InChI Key: WMQOSURXFLBTPC-UHFFFAOYSA-N Synonym: 5-fluoro-2-nitrobenzotrifluoride,4-fluoro-1-nitro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl nitrobenzene,2-nitro-alpha,alpha,alpha,5-tetrafluorotoluene,2-nitro-5-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl-4-nitrobenzene,2-trifluoromethyl-4-fluoronitrobenzene,benzene, 4-fluoro-1-nitro-2-trifluoromethyl,4-fluoro-1-nitro-2-trifluoromethyl-benzene,2-nitro-5-fluorotrifluorotoluol PubChem CID: 223094 IUPAC Name: 4-fluoro-1-nitro-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1F)C(F)(F)F)[N+](=O)[O-]

PubChem CID 223094
CAS 393-09-9
Molecular Weight (g/mol) 209.1
MDL Number MFCD00039741
SMILES C1=CC(=C(C=C1F)C(F)(F)F)[N+](=O)[O-]
Synonym 5-fluoro-2-nitrobenzotrifluoride,4-fluoro-1-nitro-2-trifluoromethyl benzene,4-fluoro-2-trifluoromethyl nitrobenzene,2-nitro-alpha,alpha,alpha,5-tetrafluorotoluene,2-nitro-5-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl-4-nitrobenzene,2-trifluoromethyl-4-fluoronitrobenzene,benzene, 4-fluoro-1-nitro-2-trifluoromethyl,4-fluoro-1-nitro-2-trifluoromethyl-benzene,2-nitro-5-fluorotrifluorotoluol
IUPAC Name 4-fluoro-1-nitro-2-(trifluoromethyl)benzene
InChI Key WMQOSURXFLBTPC-UHFFFAOYSA-N
Molecular Formula C7H3F4NO2
8,666

4-Chloro-3-(trifluoromethyl)benzaldehyde 97.0+%, TCI America™

CAS: 34328-46-6 Molecular Formula: C8H4ClF3O Molecular Weight (g/mol): 208.564 MDL Number: MFCD00040722 InChI Key: NIHMMULLFBKTOK-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl benzaldehyde,4-chloro-3-trifluoromethyl-benzaldehyde,2-chloro-5-formylbenzotrifluoride,benzaldehyde, 4-chloro-3-trifluoromethyl,pubchem2892,acmc-1adw8,timtec-bb sbb003468,4-chloro-3trifluoromethyl-benzaldehyde,3-trifluoromethyl-4-chloro-benzaldehyde,4-chloranyl-3-trifluoromethyl benzaldehyde PubChem CID: 118642 IUPAC Name: 4-chloro-3-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=C(C=C1C=O)C(F)(F)F)Cl

PubChem CID 118642
CAS 34328-46-6
Molecular Weight (g/mol) 208.564
MDL Number MFCD00040722
SMILES C1=CC(=C(C=C1C=O)C(F)(F)F)Cl
Synonym 4-chloro-3-trifluoromethyl benzaldehyde,4-chloro-3-trifluoromethyl-benzaldehyde,2-chloro-5-formylbenzotrifluoride,benzaldehyde, 4-chloro-3-trifluoromethyl,pubchem2892,acmc-1adw8,timtec-bb sbb003468,4-chloro-3trifluoromethyl-benzaldehyde,3-trifluoromethyl-4-chloro-benzaldehyde,4-chloranyl-3-trifluoromethyl benzaldehyde
IUPAC Name 4-chloro-3-(trifluoromethyl)benzaldehyde
InChI Key NIHMMULLFBKTOK-UHFFFAOYSA-N
Molecular Formula C8H4ClF3O
8,667

3-(Trifluoromethyl)phenyl Isothiocyanate 98.0+%, TCI America™

CAS: 1840-19-3 Molecular Formula: C8H4F3NS Molecular Weight (g/mol): 203.182 MDL Number: MFCD00004806 InChI Key: GFEPANUKFYVALF-UHFFFAOYSA-N Synonym: 3-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl benzene,3-trifluoromethyl phenylisothiocyanate,benzene, 1-isothiocyanato-3-trifluoromethyl,m-trifluoromethyl phenyl isothiocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isothiocyanate,3-trifluoromethylphenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl-benzene,benzene,1-isothiocyanato-3-trifluoromethyl PubChem CID: 137232 IUPAC Name: 1-isothiocyanato-3-(trifluoromethyl)benzene SMILES: C1=CC(=CC(=C1)N=C=S)C(F)(F)F

PubChem CID 137232
CAS 1840-19-3
Molecular Weight (g/mol) 203.182
MDL Number MFCD00004806
SMILES C1=CC(=CC(=C1)N=C=S)C(F)(F)F
Synonym 3-trifluoromethyl phenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl benzene,3-trifluoromethyl phenylisothiocyanate,benzene, 1-isothiocyanato-3-trifluoromethyl,m-trifluoromethyl phenyl isothiocyanate,alpha,alpha,alpha-trifluoro-m-tolyl isothiocyanate,3-trifluoromethylphenyl isothiocyanate,1-isothiocyanato-3-trifluoromethyl-benzene,benzene,1-isothiocyanato-3-trifluoromethyl
IUPAC Name 1-isothiocyanato-3-(trifluoromethyl)benzene
InChI Key GFEPANUKFYVALF-UHFFFAOYSA-N
Molecular Formula C8H4F3NS
8,668

2-Methoxy-5-(trifluoromethyl)aniline 98.0+%, TCI America™

CAS: 349-65-5 Molecular Formula: C8H8F3NO Molecular Weight (g/mol): 191.153 MDL Number: MFCD00042486 InChI Key: RKUSRLUGUVDNKP-UHFFFAOYSA-N Synonym: 2-methoxy-5-trifluoromethyl aniline,3-amino-4-methoxybenzotrifluoride,2-amino-4-trifluoromethylanisole,2-methoxy-5-trifluoromethyl-aniline,2-methoxy-5-trifluoromethyl-phenylamine,2-methoxy-5-trifluoromethyl phenylamine,benzenamine, 2-methoxy-5-trifluoromethyl,pubchem2720,acmc-209ic5,4-trifluromethyl-o-anisidine PubChem CID: 600637 IUPAC Name: 2-methoxy-5-(trifluoromethyl)aniline SMILES: COC1=C(C=C(C=C1)C(F)(F)F)N

PubChem CID 600637
CAS 349-65-5
Molecular Weight (g/mol) 191.153
MDL Number MFCD00042486
SMILES COC1=C(C=C(C=C1)C(F)(F)F)N
Synonym 2-methoxy-5-trifluoromethyl aniline,3-amino-4-methoxybenzotrifluoride,2-amino-4-trifluoromethylanisole,2-methoxy-5-trifluoromethyl-aniline,2-methoxy-5-trifluoromethyl-phenylamine,2-methoxy-5-trifluoromethyl phenylamine,benzenamine, 2-methoxy-5-trifluoromethyl,pubchem2720,acmc-209ic5,4-trifluromethyl-o-anisidine
IUPAC Name 2-methoxy-5-(trifluoromethyl)aniline
InChI Key RKUSRLUGUVDNKP-UHFFFAOYSA-N
Molecular Formula C8H8F3NO
8,669

o-Tolylhydrazine Hydrochloride 98.0+%, TCI America™

CAS: 635-26-7 Molecular Formula: C7H11ClN2 Molecular Weight (g/mol): 158.629 MDL Number: MFCD00012925 InChI Key: KJGFNDCSTWGUDT-UHFFFAOYSA-N Synonym: o-tolylhydrazine hydrochloride,2-methylphenyl hydrazine hydrochloride,2-methylphenylhydrazine hydrochloride,o-tolylhydrazine hcl,1-2-methylphenyl hydrazine hydrochloride,2-tolylhydrazine hydrochloride,o-tolylhydrazinium 1+ chloride,o-methylphenylhydrazine hcl,2-methylphenylhydrazine hcl,hydrazine, 2-methylphenyl-, monohydrochloride PubChem CID: 71554 IUPAC Name: (2-methylphenyl)hydrazine;hydrochloride SMILES: CC1=CC=CC=C1NN.Cl

PubChem CID 71554
CAS 635-26-7
Molecular Weight (g/mol) 158.629
MDL Number MFCD00012925
SMILES CC1=CC=CC=C1NN.Cl
Synonym o-tolylhydrazine hydrochloride,2-methylphenyl hydrazine hydrochloride,2-methylphenylhydrazine hydrochloride,o-tolylhydrazine hcl,1-2-methylphenyl hydrazine hydrochloride,2-tolylhydrazine hydrochloride,o-tolylhydrazinium 1+ chloride,o-methylphenylhydrazine hcl,2-methylphenylhydrazine hcl,hydrazine, 2-methylphenyl-, monohydrochloride
IUPAC Name (2-methylphenyl)hydrazine;hydrochloride
InChI Key KJGFNDCSTWGUDT-UHFFFAOYSA-N
Molecular Formula C7H11ClN2
8,670

(Phenylhydrazono)malononitrile 96.0+%, TCI America™

CAS: 306-18-3 Molecular Formula: C9H6N4 Molecular Weight (g/mol): 170.175 MDL Number: MFCD00195983 InChI Key: MENUYOGJCXAFFU-UHFFFAOYSA-N PubChem CID: 67541 IUPAC Name: 2-(phenylhydrazinylidene)propanedinitrile SMILES: C1=CC=C(C=C1)NN=C(C#N)C#N

PubChem CID 67541
CAS 306-18-3
Molecular Weight (g/mol) 170.175
MDL Number MFCD00195983
SMILES C1=CC=C(C=C1)NN=C(C#N)C#N
IUPAC Name 2-(phenylhydrazinylidene)propanedinitrile
InChI Key MENUYOGJCXAFFU-UHFFFAOYSA-N
Molecular Formula C9H6N4