UNII:T1XT2245YV
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
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
Precursor & DownStream
Precursor
DownStream
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
J. Chromatogr. A. 387 , 525-7, (1987)