3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile

Modify Date: 2024-01-10 16:45:22

3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile Structure
3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile structure
 Common Name 3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile
CAS Number 42307-77-7 Molecular Weight 268.27100
Density 1.252g/cm3 Boiling Point 586.9ºC at 760mmHg
Molecular Formula C14H12N4O2 Melting Point N/A
MSDS N/A Flash Point 308.8ºC

 Names

Name 3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.252g/cm3
Boiling Point 586.9ºC at 760mmHg
Molecular Formula C14H12N4O2
Molecular Weight 268.27100
Flash Point 308.8ºC
Exact Mass 268.09600
PSA 117.19000
LogP 3.48694
Index of Refraction 1.562

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA3270000
CHEMICAL NAME :
1,3,5-Pentanetricarbonitrile, 3-(p-nitrophenyl)-
CAS REGISTRY NUMBER :
42307-77-7
BEILSTEIN REFERENCE NO. :
3402086
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H12-N4-O2

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: 5,32,1953

 Synthetic Route

4-Nitrophenylacetonitrile structure

4-Nitrophenylac...

CAS#:555-21-5
Acrylonitrile structure

Acrylonitrile

CAS#:107-13-1

~98%

3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile Structure

3-(4-nitropheny...

CAS#:42307-77-7
Literature: Kaddah, A. M.; Khalil, A. M.; Tawfik, N. I. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1980 , vol. 19, # 2 p. 122 - 124

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

3-cyano-3-(3,4-dichloro-phenyl)-pentanedioic acid diethyl ester
Pentanedioic acid,3-cyano-3-(3,4-dichlorophenyl)-,diethyl ester
3-cyano-3-(4-nitrophenyl)pimelonitrile
3-(4-nitro-phenyl)-pentane-1,3,5-tricarbonitrile
3-(4-Nitro-phenyl)-pentan-1,3,5-tricarbonitril
3-cyano-3-(3,4-dichloro-phenyl)-pentanedioic diethyl ester
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Chemsrc provides CAS#:42307-77-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile>> amp version: 3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile

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