3-[1,3,3-tris(2-cyanoethyl)-2-oxo-cyclohexyl]propanenitrile

Modify Date: 2024-01-10 17:19:19

3-[1,3,3-tris(2-cyanoethyl)-2-oxo-cyclohexyl]propanenitrile Structure
3-[1,3,3-tris(2-cyanoethyl)-2-oxo-cyclohexyl]propanenitrile structure
 Common Name 3-[1,3,3-tris(2-cyanoethyl)-2-oxo-cyclohexyl]propanenitrile
CAS Number 5883-05-6 Molecular Weight 310.39300
Density 1.071g/cm3 Boiling Point 605.5ºC at 760 mmHg
Molecular Formula C18H22N4O Melting Point N/A
MSDS N/A Flash Point 320ºC

 Names

Name 3-[1,3,3-tris(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.071g/cm3
Boiling Point 605.5ºC at 760 mmHg
Molecular Formula C18H22N4O
Molecular Weight 310.39300
Flash Point 320ºC
Exact Mass 310.17900
PSA 112.23000
LogP 3.92732
Index of Refraction 1.485

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GV7500000
CHEMICAL NAME :
1,1,3,3-Cyclohexanetetrapropionitrile, 2-oxo-
CAS REGISTRY NUMBER :
5883-05-6
BEILSTEIN REFERENCE NO. :
3063826
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H22-N4-O
MOLECULAR WEIGHT :
310.44
WISWESSER LINE NOTATION :
L6VTJ B2CN B2CN F2CN F2CN

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 :
180 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#03874

 Safety Information

HS Code 2926909090

 Synthetic Route

Cyclohexanone structure

Cyclohexanone

CAS#:108-94-1
Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1

~78%

3-[1,3,3-tris(2-cyanoethyl)-2-oxo-cyclohexyl]propanenitrile Structure

3-[1,3,3-tris(2...

CAS#:5883-05-6
Literature: Zubarev; Gurskaya; Zavodnik; Ostrovskii Chemistry of Heterocyclic Compounds, 1997 , vol. 33, # 11 p. 1292 - 1298
Cyclohexanone structure

Cyclohexanone

CAS#:108-94-1

~%

3-[1,3,3-tris(2-cyanoethyl)-2-oxo-cyclohexyl]propanenitrile Structure

3-[1,3,3-tris(2...

CAS#:5883-05-6
Literature: Barkley; Levine Journal of the American Chemical Society, 1950 , vol. 72, p. 3699
Water structure

Water

CAS#:7732-18-5
Cyclohexanone structure

Cyclohexanone

CAS#:108-94-1
Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1
tert-Butanol structure

tert-Butanol

CAS#:75-65-0

~%

Detail
Literature: Bruson; Riener Journal of the American Chemical Society, 1942 , vol. 64, p. 2857 Journal of the American Chemical Society, 1943 , vol. 65, p. 21 Full Text Show Details Wiest; Glaser Patent: US2403570 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2437906 , 1946 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2394962 , 1943 ;
Cyclohexanone structure

Cyclohexanone

CAS#:108-94-1
hydracrylonitrile structure

hydracrylonitrile

CAS#:109-78-4

~%

3-[1,3,3-tris(2-cyanoethyl)-2-oxo-cyclohexyl]propanenitrile Structure

3-[1,3,3-tris(2...

CAS#:5883-05-6
Literature: Resinous Prod. and Chem. Co. Patent: US2437906 , 1945 ;
Cyclohexanone structure

Cyclohexanone

CAS#:108-94-1
Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1

~%

N/A structure

N/A

CAS#:91556-87-5
2-Oxocyclohexanepropiononitrile structure

2-Oxocyclohexan...

CAS#:4594-78-9
Detail
Literature: Bruson; Riener Journal of the American Chemical Society, 1942 , vol. 64, p. 2857 Journal of the American Chemical Society, 1943 , vol. 65, p. 21 Full Text Show Details Wiest; Glaser Patent: US2403570 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2437906 , 1946 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2394962 , 1943 ;
Water structure

Water

CAS#:7732-18-5
Cyclohexanone structure

Cyclohexanone

CAS#:108-94-1
Benzyltrimethylammonium hydroxide structure

Benzyltrimethyl...

CAS#:100-85-6
Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1
benzene structure

benzene

CAS#:71-43-2
Detail
Literature: Bruson; Riener Journal of the American Chemical Society, 1942 , vol. 64, p. 2857 Journal of the American Chemical Society, 1943 , vol. 65, p. 21 Full Text Show Details Wiest; Glaser Patent: US2403570 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2437906 , 1946 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2394962 , 1943 ;

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

2-Oxo-1,3,3-cyclohexanetetrapropionitrile
2-oxo-cyclohexane-1,1,3,3-tetrapropionitrile
cyclohexanone-2,2,6,6-tetrapropionitrile
1,1,3,3-Cyclohexanetetrapropionitrile,2-oxo
EINECS 227-559-5
2,2,6,6-tetracyanoethyl cyclohexanone
2-Oxo-1,1,3,3-cyclohexanetetrapropionitrile
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