Benzenepropanenitrile
Names
[ CAS No. ]:
645-59-0
[ Name ]:
Benzenepropanenitrile
[Synonym ]:
EINECS 211-447-8
3-phenylpropanenitrile
MFCD00001961
3-PHENYLPROPIONITRILE
Chemical & Physical Properties
[ Density]:
1.001 g/mL at 25 °C(lit.)
[ Boiling Point ]:
113 °C9 mm Hg(lit.)
[ Melting Point ]:
−2-−1 °C(lit.)
[ Molecular Formula ]:
C9H9N
[ Molecular Weight ]:
131.17400
[ Flash Point ]:
>230 °F
[ Exact Mass ]:
131.07300
[ PSA ]:
23.79000
[ LogP ]:
2.14278
[ Index of Refraction ]:
n20/D 1.521(lit.)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- MW5604750
- CHEMICAL NAME :
- Hydrocinnamonitrile
- CAS REGISTRY NUMBER :
- 645-59-0
- BEILSTEIN REFERENCE NO. :
- 0636348
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C9-H9-N
- MOLECULAR WEIGHT :
- 131.19
- WISWESSER LINE NOTATION :
- NC2R
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 :
- 116 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 55,47,1984
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 39 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 153,895,1911
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. (Paris, France) V.1-261, 1835-1965. For publisher information, see CRASEV. Volume(issue)/page/year: 153,895,1911
Safety Information
[ Symbol ]:
GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H301 + H311 + H331
[ Precautionary Statements ]:
P261-P280-P301 + P310-P311
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
T:Toxic;
[ Risk Phrases ]:
R25
[ Safety Phrases ]:
S36/37/39-S45
[ RIDADR ]:
UN 3276 6.1/PG 3
[ WGK Germany ]:
3
[ RTECS ]:
MW5604750
[ Packaging Group ]:
II
[ Hazard Class ]:
6.1
[ 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. Sci. Food Agric. 95 , 2244-51, (2015)
Glucosinolates are abundant in Brassicaceae vegetables, and they are degraded into various organic breakdown products (BPs) (R-CN, -NCS and -SCN) by myrosinase when plant tissues are damaged. This stu...
Time-related survival effects of two gluconasturtiin hydrolysis products on the terrestrial isopod Porcellio scaber.Chemosphere 89(9) , 1084-90, (2012)
Glucosinolates are compounds produced by commercial crops which can hydrolyse in a range of natural toxins that may exert detrimental effects on beneficial soil organisms. This study examined the effe...
Selective hydrolysis of the nitrile group of cis-dihydrodiols from aromatic nitriles.J. Mol. Catal., B Enzym. 38(2) , 78-83, (2006)