Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)-

Names

[ CAS No. ]:
126-50-1

[ Name ]:
Heptanedinitrile,4-acetyl-4-(2-cyanoethyl)-

[Synonym ]:
1,1,1-Tris-cyanoethylacetone
USAF B-122
EINECS 204-787-3

Chemical & Physical Properties

[ Density]:
1.065g/cm3

[ Boiling Point ]:
500.7ºC at 760mmHg

[ Molecular Formula ]:
C₁₂H₁₅N₃O

[ Molecular Weight ]:
217.26700

[ Flash Point ]:
256.6ºC

[ Exact Mass ]:
217.12200

[ PSA ]:
88.44000

[ LogP ]:
2.47314

[ Vapour Pressure ]:
3.7E-10mmHg at 25°C

[ Index of Refraction ]:
1.474

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MI9050000

CHEMICAL NAME :: 1,7-Heptanedinitrile, 4-acetyl-4-(2-cyanoethyl)-

CAS REGISTRY NUMBER :: 126-50-1

BEILSTEIN REFERENCE NO. :: 1782506

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C12-H15-N3-O

MOLECULAR WEIGHT :: 217.30

WISWESSER LINE NOTATION :: NC2XV1&2CN&2CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,29,1953

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%