4-methylpentanenitrile

Modify Date: 2024-01-02 10:07:32

4-methylpentanenitrile Structure
4-methylpentanenitrile structure
Common Name 4-methylpentanenitrile
CAS Number 542-54-1 Molecular Weight 97.15820
Density 0.8009 g/cm3 (20 ºC) Boiling Point 156.5 ºC
Molecular Formula C6H11N Melting Point -51 ºC
MSDS N/A Flash Point 45.6±0.0 ºC

 Names

Name 4-methylpentanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.8009 g/cm3 (20 ºC)
Boiling Point 156.5 ºC
Melting Point -51 ºC
Molecular Formula C6H11N
Molecular Weight 97.15820
Flash Point 45.6±0.0 ºC
Exact Mass 97.08910
PSA 23.79000
LogP 1.94618
Index of Refraction 1.4048 (589.3 nm 22 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YV8588000
CHEMICAL NAME :
Valeronitrile, 4-methyl-
CAS REGISTRY NUMBER :
542-54-1
BEILSTEIN REFERENCE NO. :
1698246
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C6-H11-N
MOLECULAR WEIGHT :
97.18
WISWESSER LINE NOTATION :
NC2Y1&1

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 :
488 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NEZAAQ Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. (Nippon Eisei Gakkai, c/o Kyoto Daigaku Igakubu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.1- 1946- Volume(issue)/page/year: 39,423,1984
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
89 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 5,161,1899
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
1600 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Cardiac - other changes Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 5,161,1899

 Safety Information

Risk Phrases 10-23/24/25
Safety Phrases 16-26-36/37/39
RIDADR 1992
RTECS YV8588000
Packaging Group III
Hazard Class 3.2
HS Code 2926909090

 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

isobutyl acetonitrile
Pentanenitrile,4-methyl
Isoamyl cyanide
Isocapronitrile
4-methylpentanenitile
4-methylvaleronitrile
4-methylpentanitrile
Isoamylkyanid [Czech]
Isopentyl cyanide
EINECS 208-817-6
Valeronitrile,4-methyl
Pentanenitrile,4-methyl-
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