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
  • 2-(cyclopentylthio)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
  • Benzenemethanesulfonamide,n-[2-[2-(3-chlorophenyl)ethyl]-4-benzoxazolyl]-
  • 2-Thiophenesulfonamide,4-bromo-5-[(4-fluorophenyl)thio]-
  • (5-Methylisoxazol-4-yl)(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
  • 1-methyl-N-((1-nicotinoylpiperidin-4-yl)methyl)-1H-imidazole-4-sulfonamide
  • Benzeneacetamide,4-[[5-(aminosulfonyl)-2-thienyl]thio]-
  • Acetamide,n-[5-[[5-(aminosulfonyl)-2-thienyl]sulfinyl]-2-methoxyphenyl]-
  • 2-(cyclopentylthio)-N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)acetamide
  • N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-5-sulfonamide
  • Methyl2-(2-chlorophenyl)-2-cyanoacetate
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