methyl 4,4,4-trinitrobutanoate

Names

[ CAS No. ]:
5857-63-6

[ Name ]:
methyl 4,4,4-trinitrobutanoate

[Synonym ]:
4,4,4-Trinitrobutyric acid methyl ester
Butanoic acid,4,4,4-trinitro-,methyl ester
Butanoic acid,4,4,4-trinitro-,methyl ester (9CI)
Methyl 4,4,4-trinitrobutyrate
BUTYRIC ACID,4,4,4-TRINITRO-,METHYL ESTER

Chemical & Physical Properties

[ Molecular Formula ]:
C5H7N3O8

[ Molecular Weight ]:
237.12400

[ Exact Mass ]:
237.02300

[ PSA ]:
163.76000

[ LogP ]:
0.99310

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET6890000
CHEMICAL NAME :
Butyric acid, 4,4,4-trinitro-, methyl ester
CAS REGISTRY NUMBER :
5857-63-6
BEILSTEIN REFERENCE NO. :
1803027
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H7-N3-O8
MOLECULAR WEIGHT :
237.15

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
433 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 30,56,1967

Precursor & DownStream

Precursor

DownStream

  • BUTYRIC ACID, 4,4-DINITRO-, METHYL ESTER

Related Compounds

  • methyl 4,4,4-trifluoro-3-(trifluoromethyl)butanoate
  • methyl 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoate
  • methyl 4-[4-(4-methoxycarbonylphenyl)-4-oxobutanoyl]benzoate
  • methyl 4,4,4-trifluoro-3,3-bis(trifluoromethyl)butanoate
  • methyl 4,4,4-trichloro-3-methylbutanoate
  • 3-methyl-4-[4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,4-diazepan-1-yl]-1,2,5-oxadiazole