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

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Names

[ CAS No. ]:
18913-74-1

[ Name ]:
BUTYRIC ACID, 4,4-DINITRO-, METHYL ESTER

[Synonym ]:
1,1-Dinitro-3-carboxymethylpropan
4,4-Dinitrobutyric acid methyl ester
4,4-Dinitro-buttersaeure-methylester
Methyl-4,4-dinitro-butyrat
BUTYRIC ACID,4,4-DINITRO-,METHYL ESTER
3-Carbomethoxy-1,1-dinitropropan

Chemical & Physical Properties

[ Density]:
1.367g/cm3

[ Boiling Point ]:
298.3ºC at 760 mmHg

[ Molecular Formula ]:
C5H8N2O6

[ Molecular Weight ]:
192.12700

[ Flash Point ]:
147ºC

[ Exact Mass ]:
192.03800

[ PSA ]:
117.94000

[ LogP ]:
0.86550

[ Vapour Pressure ]:
0.00128mmHg at 25°C

[ Index of Refraction ]:
1.467

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ET0350000
CHEMICAL NAME :
Butyric acid, 4,4-dinitro-, methyl ester
CAS REGISTRY NUMBER :
18913-74-1
BEILSTEIN REFERENCE NO. :
1793613
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H8-N2-O6
MOLECULAR WEIGHT :
192.15

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 :
1 gm/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

  • methyl 4,4,4-trinitrobutanoate
  • Methyl 5-hydroxy-4,4-dinitropentanoate

DownStream

Related Compounds

  • Pentanoic acid, 4,4-dinitro-, methyl ester
  • Butanoic acid,2-hydroxy-4,4-dinitro-, methyl ester, potassium salt (1:1)
  • methyl 4-[4-acetyloxybutyl(nitroso)amino]butanoate
  • methyl 2-hydroxy-4,4-dinitrobutanoate
  • methyl 4,4,4-trinitrobutanoate
  • Butanoic acid,4-fluoro-4,4-dinitro-
  • 1-(rel-(1S,2R)-2-Fluorocyclopropyl)-2-(methoxymethoxy)benzene
  • 3-Bromo-5-chloro-4-(trifluoromethyl)phenylboronic Acid Pinacol Ester
  • 8-(Methylthio)-3-((triisopropylsilyl)oxy)naphthalen-1-ol
  • 3-((Triisopropylsilyl)oxy)naphthalen-1-ol
  • (S)-3-(5-chloro-2-fluorophenyl)-3-hydroxypropanoic acid
  • Methyl (2S,3R)-3-((tert-butyldiphenylsilyl)oxy)-1-methylpyrrolidine-2-carboxylate
  • 6-(Ethylthio)-3-((1-methyl-1H-1,2,4-triazol-3-yl)methyl)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione
  • ((3-(8-Bromonaphthalen-1-yl)prop-2-yn-1-yl)oxy)(tert-butyl)dimethylsilane
  • 4-[2-(Aminooxy)ethyl]-2-nitrophenol
  • N-ethyl-3-(1-formylcyclopropyl)benzamide
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