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

Modify Date: 2025-08-25 15:50:21

Heptanedinitrile, 4-benzoyl-4- (2-cyanoethyl)- Structure
Heptanedinitrile, 4-benzoyl-4- (2-cyanoethyl)- structure
 Common Name Heptanedinitrile, 4-benzoyl-4- (2-cyanoethyl)-
CAS Number 5342-96-1 Molecular Weight 279.33600
Density 1.118g/cm3 Boiling Point 571ºC at 760 mmHg
Molecular Formula C17H17N3O Melting Point N/A
MSDS N/A Flash Point 299.1ºC

 Names

Name 4-benzoyl-4-(2-cyanoethyl)heptanedinitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.118g/cm3
Boiling Point 571ºC at 760 mmHg
Molecular Formula C17H17N3O
Molecular Weight 279.33600
Flash Point 299.1ºC
Exact Mass 279.13700
PSA 88.44000
LogP 3.76704
Index of Refraction 1.534

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UG4280000
CHEMICAL NAME :
Propionitrile, phenacylidynetri-
CAS REGISTRY NUMBER :
5342-96-1
BEILSTEIN REFERENCE NO. :
2144045
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H17-N3-O

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#03282

 Safety Information

HS Code 2926909090

 Synthetic Route

Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1

Acetophenone structure

Acetophenone

CAS#:98-86-2

~46%

4-benzoylheptanedinitrile structure

4-benzoylheptan...

CAS#:100869-93-0

Heptanedinitrile, 4-benzoyl-4- (2-cyanoethyl)- Structure

Heptanedinitril...

CAS#:5342-96-1

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

Acrylonitrile

CAS#:107-13-1

Acetophenone structure

Acetophenone

CAS#:98-86-2

~%

Heptanedinitrile, 4-benzoyl-4- (2-cyanoethyl)- Structure

Heptanedinitril...

CAS#:5342-96-1

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
Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1

Acetophenone structure

Acetophenone

CAS#:98-86-2

~39%

4-benzoylheptanedinitrile structure

4-benzoylheptan...

CAS#:100869-93-0

Heptanedinitrile, 4-benzoyl-4- (2-cyanoethyl)- Structure

Heptanedinitril...

CAS#:5342-96-1

Detail
Literature: Jaitak, Vikas; Bandna; Das, Pralay; Kaul; Singh, Bikram; Kumar, Neeraj Synthetic Communications, 2011 , vol. 41, # 18 p. 2727 - 2737
1,4-Dioxane structure

1,4-Dioxane

CAS#:123-91-1

Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1

Acetophenone structure

Acetophenone

CAS#:98-86-2

~%

Heptanedinitrile, 4-benzoyl-4- (2-cyanoethyl)- Structure

Heptanedinitril...

CAS#:5342-96-1

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

 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

Propionitrile,phenacylidynetri
Phenacylidynetripropionitrile
2,2,2-tris(2-cyanoethyl)acetophenone
Tris(cyanoethyl)acetophenone
Heptanedinitrile,4-benzoyl-4-(2-cyanoethyl)-(6CI,9CI)
4-(2-Cyan-aethyl)-4-benzoyl-heptandisaeure-dinitril
4-Benzoyl-4-(2-cyan-aethyl)-heptandinitril
4-benzoyl-4(2-cyanoethyl)heptanedinitrile
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Chemsrc provides CAS#:5342-96-1 MSDS, density, melting point, boiling point, structure, etc. Its name is Heptanedinitrile, 4-benzoyl-4- (2-cyanoethyl)->> amp version: Heptanedinitrile, 4-benzoyl-4- (2-cyanoethyl)-

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