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645-59-0

645-59-0 structure
645-59-0 structure

Name 3-phenylpropionitrile
Synonyms EINECS 211-447-8
3-phenylpropanenitrile
MFCD00001961
3-PHENYLPROPIONITRILE
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.)

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
Symbol GHS06
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
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%