2-Pentyl-2-methylheptanonitrile

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Names

[ CAS No. ]:
49827-48-7

[ Name ]:
2-Pentyl-2-methylheptanonitrile

[Synonym ]:
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

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

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Bromopentane
  • propionitrile
  • 2-methylheptanenitrile
  • methyl iodide

DownStream

Related Compounds

  • 2-Pentyl-2-methylheptanonitrile
  • 2-pentyl-2-((trifluoromethyl)sulfonyl)tetrahydro-2H-thiopyran 1,1-dioxide
  • 2-Pentyl-2-Nonene-1-ol
  • 2-pentyl 2-methyl pentanoate
  • 2-pentyl-2-cyclopenten-1-one
  • 2-pentyl-2-butenal
  • Ethyl 7-isopropyl-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
  • 5-Chloro-4-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine
  • 3-Hydroxy-9-acridinecarboxylic acid
  • 2-(3,4-dimethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-7-(pyridin-4-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
  • 2-(2-methoxyphenyl)-5-methyl-N,7-di(pyridin-3-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
  • 7-(2-chlorophenyl)-2-(4-(dimethylamino)phenyl)-5-methyl-N-(pyridin-3-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
  • N-(1-isopropylpiperidin-4-yl)quinolin-4-amine
  • 3-Methanesulfonyl-3,6-diazabicyclo[3.1.1]heptane
  • 7-(3-bromophenyl)-5-methyl-2-(methylthio)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
  • 7-(3-chlorophenyl)-5-methyl-2-(methylthio)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
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