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Diphenylacetonitrile

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Diphenylacetonitrile Basic information

Product Name:
Diphenylacetonitrile
Synonyms:
  • dibenzylcyanide
  • Difenylacetonitril
  • diphenyl-acetonitril
  • Diphenyl-alpha-cyanomethane
  • USAF kf-13
  • usafkf-13
  • Benzeneacetonitrile, alpha-phenyl-
  • DIPHENYLACETONITRILE PESTANAL, 250 MG
CAS:
86-29-3
MF:
C14H11N
MW:
193.25
EINECS:
201-662-5
Product Categories:
  • Pesticide intermediates
  • Aromatics
  • Impurities
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
  • intermediates
  • Pharmaceutical Intermediates
  • Aromatic Nitriles
  • C10 to C27
  • Cyanides/Nitriles
  • Nitrogen Compounds
  • Aromatics, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals
  • Chemical
Mol File:
86-29-3.mol
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Diphenylacetonitrile Chemical Properties

Melting point:
71-73 °C (lit.)
Boiling point:
181 °C/12 mmHg (lit.)
Density 
1.1061 (rough estimate)
vapor pressure 
21.3 hPa (190 °C)
refractive index 
1.5850 (estimate)
Flash point:
120 °C
storage temp. 
Store below +30°C.
solubility 
INSOLUBLE
form 
Crystalline Powder
color 
White to creamy or faint yellow
Water Solubility 
INSOLUBLE
Merck 
14,3316
BRN 
1911160
InChIKey
NEBPTMCRLHKPOB-UHFFFAOYSA-N
CAS DataBase Reference
86-29-3(CAS DataBase Reference)
NIST Chemistry Reference
Benzeneacetonitrile, «alpha»-phenyl-(86-29-3)
EPA Substance Registry System
Diphenylacetonitrile (86-29-3)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36-37/39
WGK Germany 
2
RTECS 
AL9800000
TSCA 
Yes
HS Code 
29269095
Toxicity
LD50 orally in Rabbit: 3500 mg/kg

MSDS

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Diphenylacetonitrile Usage And Synthesis

Chemical Properties

white to creamy or faint yellow crystalline powder

Uses

Mathadone (M225865) impurity.

Synthesis Reference(s)

The Journal of Organic Chemistry, 35, p. 3253, 1970 DOI: 10.1021/jo00835a016

Safety Profile

Poison by ingestion, intraperitoneal, and intravenous routes. Moderately toxic by subcutaneous route. Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx, and CN-. See also NITRILES.

Purification Methods

Crystallise the nitrile from EtOH or pet ether (b 90-100o). [Beilstein 9 H 674, 9 IV 2505.]

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