Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2-ISOQUINOLINEACETONITRILE, 1,2,3,4-TETRAHYDRO-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

91349-97-2

91349-97-2 structure

Name: 2-ISOQUINOLINEACETONITRILE, 1,2,3,4-TETRAHYDRO-
Chemical Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile
CAS Number: 91349-97-2
Molecular Formula: C₁₁H₁₂N₂
Molecular Weight: 172.22600
Create Date: 2016-05-10 01:25:35
Modify Date: 2024-01-10 14:03:51

Name	2-(3,4-dihydro-1H-isoquinolin-2-yl)acetonitrile
Synonyms	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

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

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

91-21-4

107-14-2

~70%

91349-97-2

Literature: Contreras, Jean-Marie; Rival, Yveline M.; Chayer, Said; Bourguignon, Jean-Jacques; Wermuth, Camille G. Journal of Medicinal Chemistry, 1999 , vol. 42, # 4 p. 730 - 741

91-21-4

590-17-0

91349-97-2

Literature: Mach, Robert H.; Huang, Yunsheng; Freeman, Rebekah A.; Wu, Li; Vangveravong, Suwanna; Luedtke, Robert R. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 1 p. 195 - 202

91-21-4

91349-97-2

Literature: Wu, Chengde; Anderson, C. Eric; Bui, Huong; Dupre, Brian; Gao, Daxin; Holland, George W.; Kassir, Jamal; Li, Wen; Wang, Junmei Patent: US2005/54850 A1, 2005 ;

Precursor 3
91-21-4 107-14-2 590-17-0
DownStream 1
53356-51-7

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