Butanoic acid,4,4,4-trinitro-, ethyl ester

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Names

[ CAS No. ]:
15421-42-8

[ Name ]:
Butanoic acid,4,4,4-trinitro-, ethyl ester

[Synonym ]:
Ethyl-4,4,4-trinitrobutyrate
4,4,4-Trinitro-buttersaeure-aethylester
4,4,4-Trinitrobutyric acid ethyl ester
BUTYRIC ACID,4,4,4-TRINITRO-,ETHYL ESTER

Chemical & Physical Properties

[ Density]:
1.482g/cm3

[ Boiling Point ]:
324.7ºC at 760mmHg

[ Molecular Formula ]:
C6H9N3O8

[ Molecular Weight ]:
251.15100

[ Flash Point ]:
144.4ºC

[ Exact Mass ]:
251.03900

[ PSA ]:
163.76000

[ LogP ]:
1.38320

[ Vapour Pressure ]:
0.000242mmHg at 25°C

[ Index of Refraction ]:
1.497

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET6870000
CHEMICAL NAME :
Butyric acid, 4,4,4-trinitro-, ethyl ester
CAS REGISTRY NUMBER :
15421-42-8
BEILSTEIN REFERENCE NO. :
1804460
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H9-N3-O8
MOLECULAR WEIGHT :
251.18

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 :
708 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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • trinitromethane
  • Ethyl acrylate TOP1 supplier

DownStream

Related Compounds

  • Butanoic acid,4,4,4-trichloro-, ethyl ester
  • Butanoic acid, 4,4,4-tribromo-, ethyl ester
  • Butanoic acid,4,4,4-trifluoro-3-oxo-2-(2-phenyldiazenyl)-, ethyl ester
  • Butanoic acid,4,4,4-trifluoro-3-oxo-2-(2-phenylhydrazinylidene)-, ethyl ester
  • ethyl 4,4,4-trimethoxybutanoate
  • ethyl 4,4,4-trifluoro-3-phenylsulfanylbutanoate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • Cyclopropyl((3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone
  • 1-(3-Isothiocyanatopropoxy)-3,5-dimethoxybenzene
  • 3,5-Dichlorophenyl-(1-methyl-2-pyrrolyl)methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde