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

Modify Date: 2025-09-04 12:13:08

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

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

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
InChIKey	FEGPPHGAJSUBAE-UHFFFAOYSA-N
SMILES	Cc1ccc(C(=O)C(CCC#N)(CCC#N)CCC#N)cc1

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

HS Code	2926909090

Acrylonitrile

CAS#:107-13-1

4'-Methylacetop...

CAS#:122-00-9

~43%

N/A

CAS#:1321889-26-2

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

Acrylonitrile

CAS#:107-13-1

4'-Methylacetop...

CAS#:122-00-9

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 2
CAS#:107-13-1 Acrylonitrile CAS#:122-00-9 4'-Methylacetop...
DownStream 0

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%

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.