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
InChIKey CJSOIFOTLJQHEY-UHFFFAOYSA-N
SMILES N#CCCC(CCC#N)(CCC#N)C(=O)c1ccccc1

 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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