3-Acetylbenzonitrile

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Names

[ CAS No. ]:
6136-68-1

[ Name ]:
3-Acetylbenzonitrile

[Synonym ]:
MFCD00001806
M-CYANOACETOPHENONE
3-Acetylbenzonitrile
Benzonitrile, 3-acetyl-
EINECS 228-110-6

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
267.3±23.0 °C at 760 mmHg

[ Melting Point ]:
98-100 °C(lit.)

[ Molecular Formula ]:
C9H7NO

[ Molecular Weight ]:
145.158

[ Flash Point ]:
115.5±22.6 °C

[ Exact Mass ]:
145.052765

[ PSA ]:
40.86000

[ LogP ]:
1.16

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.539

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
3439

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • zinc,dicyanide
  • m-Bromoacetophenone
  • 3-ACETYLBENZALDEHYDE 97
  • 1-(3-Iodophenyl)ethanone
  • 3-Bromobenzonitrile
  • Acetyl chloride
  • sodium cyanide
  • Trimethyl(vinyloxy)silane
  • 3-Iodobenzonitrile
  • Ethanoic anhydride

DownStream

  • 3-(2-OXO-ACETYL)-BENZONITRILE
  • 3-(Bromoacetyl)benzonitrile
  • 3-[3-(dimethylamino)prop-2-enoyl]benzonitrile
  • 2-Cyano-4-Methylbiphenyl
  • 3-(2-AMINO-THIAZOL-4-YL)-BENZONITRILE
  • trifluoroacetic acid
  • 3-(1-phenylethenyl)benzonitrile
  • 3-(1-Methyl-1H-pyrazol-3-yl)benzonitrile
  • Methyl 3-acetylbenzoate

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Synthesis of 3-substituted benzamides and 5-substituted isoquinolin-1(2H)-ones and preliminary evaluation as inhibitors of poly(ADP-ribose)polymerase (PARP).

Bioorg. Med. Chem. 6(6) , 721-34, (1998)

Inhibitors of poly(ADP-ribose)polymerase (PARP) inhibit repair of damaged DNA and thus potentiate radiotherapy and chemotherapy of cancer. 3-Substituted benzamides and 5-substituted isoquinolin-1-ones...

Synthesis and in vitro biological activity of N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidinamine derivatives. Mohana KN and Mallesha L.

Bulg. Chem. Commun. 43(3) , 395-400, (2011)


More Articles

Related Compounds

  • 3-(1-thiophen-3-ylpropyl)thiophene
  • 3-[(4-chloro-3-methyl-phenoxy)methyl]-5-(4-fluorophenyl)-4-(4-methylph enyl)-1,2,4-triazole
  • 3-[(4-chloro-3-methylphenoxy)methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole
  • 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazole
  • 3-CHLORO-4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
  • 3-[(4-methylphenoxy)methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole
  • N-cyclopropyl-1-(4-methanesulfonylphenyl)piperidine-3-carboxamide
  • 3-Fluoro-4-{[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methyl}benzonitrile
  • 4-{[4-(5-Bromo-3-fluoropyridin-2-yl)piperazin-1-yl]methyl}-1-methyl-1,2-dihydropyridin-2-one
  • 1-[(3-Methylpyridin-2-yl)methyl]-4-[(1,3-oxazol-4-yl)methyl]piperazine
  • N-(cyclobutylmethyl)-9-(2-methoxyethyl)-N-methyl-9H-purin-6-amine
  • 4,4-Difluoro-1-(1-{[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidine-3-carbonyl)piperidine
  • (2S)-4-(2-bromo-4-nitrophenyl)butan-2-ol
  • 1-(1,4-dimethyl-1H-pyrazol-5-yl)-N-methylcyclopropan-1-amine
  • 5-(5-Fluoro-2-methoxy-4-methylphenyl)-1,3-oxazolidin-2-one
  • 3-Amino-2-(2,2-dimethylthiolan-3-yl)-2-methylpropan-1-ol
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