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5857-63-6

5857-63-6 structure

5857-63-6 structure

Name: methyl 4,4,4-trinitrobutanoate
Chemical Name: methyl 4,4,4-trinitrobutanoate
CAS Number: 5857-63-6
Molecular Formula: C₅H₇N₃O₈
Molecular Weight: 237.12400
Create Date: 2016-11-12 09:05:28
Modify Date: 2025-09-25 11:17:35

Name	methyl 4,4,4-trinitrobutanoate
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

Molecular Formula	C₅H₇N₃O₈
Molecular Weight	237.12400
Exact Mass	237.02300
PSA	163.76000
LogP	0.99310

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 0
DownStream 1
18913-74-1

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