CAS 13816-33-6|cuminyl nitrile

Introduction:Basic information about CAS 13816-33-6|cuminyl nitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Namecuminyl nitrile
CAS Number13816-33-6Molecular Weight145.20100
Density0.96 g/cm3Boiling Point88-90ºC (5 torr)
Molecular FormulaC10H11NMelting Point51.5°C (estimate)
MSDSUSAFlash Point93.6ºC

Names

Name4-Isopropylbenzonitrile
SynonymMore Synonyms

Chemical & Physical Properties

Density0.96 g/cm3
Boiling Point88-90ºC (5 torr)
Melting Point51.5°C (estimate)
Molecular FormulaC10H11N
Molecular Weight145.20100
Flash Point93.6ºC
Exact Mass145.08900
PSA23.79000
LogP2.68168
Vapour Pressure0.0623mmHg at 25°C
Index of Refraction1.518

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 CodesXi:Irritant;
Risk PhrasesR36/37/38
Safety PhrasesS26-S37/39
RTECSDI4650000
HS Code2926909090

Customs

HS Code2926909090
SummaryHS: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

MFCD00052966
4-ISOPROPYLBENZONITRILE
4-propan-2-ylbenzonitrile
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