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-
  • 2-(3,4-dihydro-1H-2-benzopyran-6-yl)-2-methylpropanenitrile
  • 2-Methyl-2-[2-(trifluoromethyl)pyridin-3-yl]propan-1-amine
  • 3-tert-butyl-1-methyl-5-(1H-pyrazol-4-yl)-1H-pyrazole
  • 2-Methyl-4-{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}butan-2-amine
  • methyl 5-(3-methoxy-3-oxopropanoyl)-1-methyl-1H-pyrazole-4-carboxylate
  • [1-(3-Chlorothiophen-2-yl)-2,2-dimethylcyclopropyl]methanamine
  • rac-[(1R,3R)-2,2-dimethyl-3-(2-phenylpropan-2-yl)cyclopropyl]methanamine
  • 1-{Imidazo[1,2-a]pyridin-3-yl}-2,2-dimethylcyclopropane-1-carboxylic acid
  • tert-butyl N-(6-hydroxy-2,2-dimethylheptan-3-yl)carbamate
  • 1-Amino-2-methyl-1-(pyrimidin-5-yl)propan-2-ol
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