2-Pentyl-2-methylheptanonitrile

Modify Date: 2025-08-26 17:18:24

2-Pentyl-2-methylheptanonitrile Structure
2-Pentyl-2-methylheptanonitrile structure
 Common Name 2-Pentyl-2-methylheptanonitrile
CAS Number 49827-48-7 Molecular Weight 195.34400
Density 0.825g/cm3 Boiling Point 273.3ºC at 760 mmHg
Molecular Formula C13H25N Melting Point N/A
MSDS N/A Flash Point 103.4ºC

 Names

Name 2-methyl-2-pentylheptanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.825g/cm3
Boiling Point 273.3ºC at 760 mmHg
Molecular Formula C13H25N
Molecular Weight 195.34400
Flash Point 103.4ºC
Exact Mass 195.19900
PSA 23.79000
LogP 4.67688
Index of Refraction 1.438
InChIKey DBCOJMXZAWQKQU-UHFFFAOYSA-N
SMILES CCCCCC(C)(C#N)CCCCC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ1300000
CHEMICAL NAME :
1-Heptanenitrile, 2-methyl-2-pentyl-
CAS REGISTRY NUMBER :
49827-48-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H25-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 :
180 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#01342

 Synonyms

6-cyano-6-methylundecane
2-Pentyl-2-methylheptanonitrile
1-HEPTANENITRILE,2-METHYL-2-PENTYL
Propionitrile,2-dipentyl
Propionitrile,2,2-dipentyl
Undecane,6-cyano-6-methyl
Heptanenitrile,2-methyl-2-pentyl
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