UNII:T1XT2245YV

Modify Date: 2024-01-02 11:11:02

UNII:T1XT2245YV Structure
UNII:T1XT2245YV structure
Common Name UNII:T1XT2245YV
CAS Number 42872-30-0 Molecular Weight 235.281
Density 1.1±0.1 g/cm3 Boiling Point 400.8±28.0 °C at 760 mmHg
Molecular Formula C16H13NO Melting Point 47-53 °C(lit.)
MSDS Chinese USA Flash Point 196.2±24.0 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 2-(3-Benzoylphenyl)propionitrile
Synonym More Synonyms

 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

 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
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

~0%

UNII:T1XT2245YV Structure

UNII:T1XT2245YV

CAS#:42872-30-0

Literature: TESSENDERLO CHEMIE N.V. Patent: EP525506 A2, 1993 ;

~0%

Detail
Literature: Tessenderlo Chemie N.V. Patent: US5278333 A1, 1994 ;

 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%

 Synonyms

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
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