4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile

Modify Date: 2024-02-26 15:19:32

4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile Structure
4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile structure
Common Name 4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile
CAS Number 7461-85-0 Molecular Weight 293.36300
Density 1.102g/cm3 Boiling Point 579.8ºC at 760 mmHg
Molecular Formula C18H19N3O Melting Point N/A
MSDS N/A Flash Point 304.5ºC

 Names

Name 4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile

 Chemical & Physical Properties

Density 1.102g/cm3
Boiling Point 579.8ºC at 760 mmHg
Molecular Formula C18H19N3O
Molecular Weight 293.36300
Flash Point 304.5ºC
Exact Mass 293.15300
PSA 88.44000
LogP 4.07544
Index of Refraction 1.532

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MI9275000
CHEMICAL NAME :
Heptanedinitrile, 4-(2-cyanoethyl)-4-p-toluoyl-
CAS REGISTRY NUMBER :
7461-85-0
BEILSTEIN REFERENCE NO. :
3386692
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H19-N3-O
MOLECULAR WEIGHT :
293.40
WISWESSER LINE NOTATION :
NC2X2CN&2CN&VR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
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 :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 9,130,1957

 Safety Information

HS Code 2926909090

 Synthetic Route

~43%

4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile Structure

4-(2-cyanoethyl...

CAS#:7461-85-0

Literature: Jaitak, Vikas; Kaul; Das, Pralay Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013 , vol. 52, # 8 p. 1137 - 1145

~%

4-(2-cyanoethyl)-4-(4-methylbenzoyl)heptanedinitrile Structure

4-(2-cyanoethyl...

CAS#:7461-85-0

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 Show Details Resinous Prod. and Chem. Co. Patent: US2386736 , 1941 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2394962 , 1943 ; Full Text Show Details Resinous Prod. and Chem. Co. Patent: US2287510 , 1941 ;

 Precursor & DownStream

Precursor  2

DownStream  0

 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%