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42307-77-7

42307-77-7 structure

42307-77-7 structure

Name: 3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile
Chemical Name: 3-(4-nitrophenyl)pentane-1,3,5-tricarbonitrile
CAS Number: 42307-77-7
Molecular Formula: C₁₄H₁₂N₄O₂
Molecular Weight: 268.27100
Create Date: 2016-01-27 03:46:20
Modify Date: 2025-09-23 07:33:49

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

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

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

555-21-5 structure

555-21-5

107-13-1 structure

107-13-1

~98%

42307-77-7 structure

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 2
555-21-5 107-13-1
DownStream 0

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