methyl 4,4,4-trinitrobutanoate

Modify Date: 2025-09-25 11:17:35

methyl 4,4,4-trinitrobutanoate Structure
methyl 4,4,4-trinitrobutanoate structure
 Common Name methyl 4,4,4-trinitrobutanoate
CAS Number 5857-63-6 Molecular Weight 237.12400
Density N/A Boiling Point N/A
Molecular Formula C5H7N3O8 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name methyl 4,4,4-trinitrobutanoate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C5H7N3O8
Molecular Weight 237.12400
Exact Mass 237.02300
PSA 163.76000
LogP 0.99310
InChIKey TYMXYABGSSSAQV-UHFFFAOYSA-N
SMILES COC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

 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  0

DownStream  1

 Synonyms

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
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Chemsrc provides methyl 4,4,4-trinitrobutanoate(CAS#:5857-63-6) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of methyl 4,4,4-trinitrobutanoate are included as well.>> amp version: methyl 4,4,4-trinitrobutanoate

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