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

Modify Date: 2025-09-21 15:31:45

2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedinitrile structure	Common Name	2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedinitrile
	CAS Number	6687-82-7	Molecular Weight	209.24700
	Density	1.258g/cm3	Boiling Point	367ºC at 760 mmHg
	Molecular Formula	C₁₃H₁₁N₃	Melting Point	N/A
	MSDS	N/A	Flash Point	162.7ºC

Name	2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedinitrile
Synonym	More Synonyms

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
InChIKey	XWXNAUJZOYZIRK-UHFFFAOYSA-N
SMILES	N#CC(C#N)=CN1CCc2ccccc2C1

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

HS Code	2933499090

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%

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