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

  • 9-(2-methoxyethyl)-6-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]-9H-purine
  • 2-(5-{2,5-Dimethylpyrazolo[1,5-a]pyrimidin-7-yl}-octahydropyrrolo[3,4-c]pyrrol-2-yl)-3-(trifluoromethyl)pyridine
  • N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-N,2-dimethylpyrido[3,4-d]pyrimidin-4-amine
  • 6-Chloro-2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1,8-naphthyridine
  • 4-(4-{2-Tert-butylimidazo[1,2-b]pyridazin-6-yl}piperazin-1-yl)-5,6,7,8-tetrahydroquinazoline
  • 2-(5-{Thieno[3,2-d]pyrimidin-4-yl}-octahydropyrrolo[3,4-c]pyrrol-2-yl)-3-(trifluoromethyl)pyridine
  • 5-fluoro-N-{[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]methyl}-N,6-dimethylpyrimidin-4-amine
  • 2-[4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-4,6-dimethyl-1,3-benzothiazole
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