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

Modify Date: 2024-01-10 14:03:51

2-ISOQUINOLINEACETONITRILE, 1,2,3,4-TETRAHYDRO- Structure
2-ISOQUINOLINEACETONITRILE, 1,2,3,4-TETRAHYDRO- structure
 Common Name 2-ISOQUINOLINEACETONITRILE, 1,2,3,4-TETRAHYDRO-
CAS Number 91349-97-2 Molecular Weight 172.22600
Density 1.088g/cm3 Boiling Point 303.5ºC at 760 mmHg
Molecular Formula C11H12N2 Melting Point N/A
MSDS N/A Flash Point 130.6ºC

 Names

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

 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

1,2,3,4-Tetrahydroisoquinoline structure

1,2,3,4-Tetrahy...

CAS#:91-21-4

2-chloroacetonitrile structure

2-chloroacetonitrile

CAS#:107-14-2

~70%

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

2-ISOQUINOLINEA...

CAS#: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
1,2,3,4-Tetrahydroisoquinoline structure

1,2,3,4-Tetrahy...

CAS#:91-21-4

Bromoacetonitrile structure

Bromoacetonitrile

CAS#:590-17-0

~%

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

2-ISOQUINOLINEA...

CAS#: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
1,2,3,4-Tetrahydroisoquinoline structure

1,2,3,4-Tetrahy...

CAS#:91-21-4

~%

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

2-ISOQUINOLINEA...

CAS#: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 ;

 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
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Chemsrc provides CAS#:91349-97-2 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-ISOQUINOLINEACETONITRILE, 1,2,3,4-TETRAHYDRO->> amp version: 2-ISOQUINOLINEACETONITRILE, 1,2,3,4-TETRAHYDRO-

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