UNII:T1XT2245YV

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Names

[ CAS No. ]:
42872-30-0

[ Name ]:
UNII:T1XT2245YV

[Synonym ]:
2-(3-Benzoylphenyl)propionitrile
3-Benzoyl-α-methylbenzeneacetonitrile
Benzeneacetonitrile, 3-benzoyl-α-methyl-
UNII:T1XT2245YV
3-(1-Cyanoethyl)benzophenone
EINECS 255-982-5
2-(3-Benzoylphenyl)propanenitrile
3-Benzoyl-α-methylphenylacetonitrile
MFCD00044435

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
400.8±28.0 °C at 760 mmHg

[ Melting Point ]:
47-53 °C(lit.)

[ Molecular Formula ]:
C16H13NO

[ Molecular Weight ]:
235.281

[ Flash Point ]:
196.2±24.0 °C

[ Exact Mass ]:
235.099716

[ PSA ]:
40.86000

[ LogP ]:
2.76

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.579

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY1693000
CHEMICAL NAME :
Benzeneacetonitrile, 3-benzoyl-alpha-methyl-
CAS REGISTRY NUMBER :
42872-30-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H13-N-O
MOLECULAR WEIGHT :
235.30

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
483 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 11,661,1976

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335

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

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

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
CY1693000

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • BENZOPHENONE-3-PROPIONITRILE
  • Dimethyl Carbonate
  • Potassium carbonate

DownStream

  • ketoprofen
  • 2-(3-benzoylphenyl)propanamide

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

Purity assay of ketoprofen by high-performance liquid chromatography.

J. Chromatogr. A. 387 , 525-7, (1987)


More Articles

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