2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedinitrile

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Names

[ CAS No. ]:
6687-82-7

[ Name ]:
2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedinitrile

[Synonym ]:
f0418-0008

Chemical & Physical Properties

[ Density]:
1.258g/cm3

[ Boiling Point ]:
367ºC at 760 mmHg

[ Molecular Formula ]:
C13H11N3

[ Molecular Weight ]:
209.24700

[ Flash Point ]:
162.7ºC

[ Exact Mass ]:
209.09500

[ PSA ]:
50.82000

[ LogP ]:
1.91366

[ Index of Refraction ]:
1.668

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO3742500
CHEMICAL NAME :
Malononitrile, ((3,4-dihydro-2(1H)-isoquinolyl)methylene)-
CAS REGISTRY NUMBER :
6687-82-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H11-N3
MOLECULAR WEIGHT :
209.27
WISWESSER LINE NOTATION :
T66 CNT&J C1UYCN&CN

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#02881

Safety Information

[ HS Code ]:
2933499090

Customs

[ HS Code ]: 2933499090

[ Summary ]:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 3-(1-Hydroxycyclohexyl)benzenesulfonamide
  • 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)-
  • N-[4,6-dimethyl-2-(morpholin-4-yl)pyrimidin-5-yl]-3,3-dimethylbutanamide
  • (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