2-ISOQUINOLINEACETONITRILE, 1,2,3,4-TETRAHYDRO-

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Names

[ CAS No. ]:
91349-97-2

[ Name ]:
2-ISOQUINOLINEACETONITRILE, 1,2,3,4-TETRAHYDRO-

[Synonym ]:
2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetonitrile
2-Cyanomethyl-1,2,3,4-tetrahydroisoquinoline
1,2,3,4-Tetrahydro-2-isoquinolineacetonitrile
1,2,3,4-Tetrahydro-2-leucolineacetonitrile
N-(cyanomethyl)-1,2,3,4-tetrahydroisoquinoline
[1,2,3,4-tetrahydroisoquinoline]-2-acetonitrile
(3,4-Dihydro-1H-isoquinolin-2-yl)acetonitrile
(1,2,3,4-Tetrahydro-isochinolinyl)-acetonitril
2-ISOQUINOLINEACETONITRILE,1,2,3,4-TETRAHYDRO

Chemical & Physical Properties

[ Density]:
1.088g/cm3

[ Boiling Point ]:
303.5ºC at 760 mmHg

[ Molecular Formula ]:
C11H12N2

[ Molecular Weight ]:
172.22600

[ Flash Point ]:
130.6ºC

[ Exact Mass ]:
172.10000

[ PSA ]:
27.03000

[ LogP ]:
1.50618

[ Index of Refraction ]:
1.56

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NW6845000
CHEMICAL NAME :
2-Isoquinolineacetonitrile, 1,2,3,4-tetrahydro-
CAS REGISTRY NUMBER :
91349-97-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H12-N2
MOLECULAR WEIGHT :
172.25
WISWESSER LINE NOTATION :
T66 CNT&J C1CN

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 :
100 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#08280

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,2,3,4-Tetrahydroisoquinoline
  • 2-chloroacetonitrile
  • Bromoacetonitrile

DownStream

  • 2(1H)-Isoquinolineethanamine,3,4-dihydro-

Related Compounds

  • 2-(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YLMETHYL)-ISOINDOLE-1,3-DIONE
  • 1-[2-(1,2,3,4-tetrahydro-2-oxo-6-quinolyl)-2-oxoethyl]pyridinium chloride
  • Methyl 2-(1,2,3,4-tetrahydro-1-isoquinolinyl)-acetate
  • 2-(1,2,3,4-tetrahydroisoquinolin-3-yl)acetonitrile
  • 1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl]benz[cd]indolium sulphate (2:1)
  • 1H-Imidazole, 2-(1,2,3,4-tetrahydro-1-naphthalenyl)-
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine