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cuminyl nitrile

Names

[ CAS No. ]:
13816-33-6

[ Name ]:
cuminyl nitrile

[Synonym ]:
MFCD00052966
4-ISOPROPYLBENZONITRILE
4-propan-2-ylbenzonitrile
EINECS 237-492-3

Chemical & Physical Properties

[ Density]:
0.96 g/cm3

[ Boiling Point ]:
88-90ºC (5 torr)

[ Melting Point ]:
51.5°C (estimate)

[ Molecular Formula ]:
C10H11N

[ Molecular Weight ]:
145.20100

[ Flash Point ]:
93.6ºC

[ Exact Mass ]:
145.08900

[ PSA ]:
23.79000

[ LogP ]:
2.68168

[ Vapour Pressure ]:
0.0623mmHg at 25°C

[ Index of Refraction ]:
1.518

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI4650000
CHEMICAL NAME :
Benzonitrile, p-isopropyl-
CAS REGISTRY NUMBER :
13816-33-6
BEILSTEIN REFERENCE NO. :
1932883
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C10-H11-N
MOLECULAR WEIGHT :
145.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,837,1983 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,837,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 21,837,1983

Safety Information

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RTECS ]:
DI4650000

[ HS Code ]:
2926909090

Synthetic Route

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%


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