2-methylheptanenitrile

Modify Date: 2025-08-30 16:04:39

2-methylheptanenitrile Structure
2-methylheptanenitrile structure
 Common Name 2-methylheptanenitrile
CAS Number 54321-41-4 Molecular Weight 125.21100
Density 0.811g/cm3 Boiling Point 193ºC at 760 mmHg
Molecular Formula C8H15N Melting Point N/A
MSDS N/A Flash Point 82.3ºC

 Names

Name 2-methylheptanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.811g/cm3
Boiling Point 193ºC at 760 mmHg
Molecular Formula C8H15N
Molecular Weight 125.21100
Flash Point 82.3ºC
Exact Mass 125.12000
PSA 23.79000
LogP 2.72638
Index of Refraction 1.419
InChIKey DPGVNSDPGIWYQK-UHFFFAOYSA-N
SMILES CCCCCC(C)C#N

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ1227000
CHEMICAL NAME :
1-Heptanenitrile, 2-methyl-
CAS REGISTRY NUMBER :
54321-41-4
BEILSTEIN REFERENCE NO. :
1720734
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H15-N

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01341

 Safety Information

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

2-cyanoheptane
2-Methylheptanonitrile
Heptane,2-cyano
2-Methylheptylnitril
1-HEPTANENITRILE,2-METHYL
2-methyl-Heptanenitrile
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