Benzeneacetic acid, a-(2,4-dinitrophenyl)-2,4-dinitro-,ethyl ester

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Names

[ CAS No. ]:
5833-18-1

[ Name ]:
Benzeneacetic acid, a-(2,4-dinitrophenyl)-2,4-dinitro-,ethyl ester

[Synonym ]:
ethyl 2,2-bis(2,4-dinitrophenyl)acetate
EINECS 227-415-1
MFCD00051351

Chemical & Physical Properties

[ Density]:
1.556g/cm3

[ Boiling Point ]:
629.3ºC at 760mmHg

[ Melting Point ]:
156 °C

[ Molecular Formula ]:
C16H12N4O10

[ Molecular Weight ]:
420.28700

[ Flash Point ]:
269.3ºC

[ Exact Mass ]:
420.05500

[ PSA ]:
209.58000

[ LogP ]:
5.10720

[ Index of Refraction ]:
1.641

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF5650000
CHEMICAL NAME :
Acetic acid, bis(2,4-dinitrophenyl)-, ethyl ester
CAS REGISTRY NUMBER :
5833-18-1
BEILSTEIN REFERENCE NO. :
2493327
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C16-H12-N4-O10
MOLECULAR WEIGHT :
420.32
WISWESSER LINE NOTATION :
WNR CNW DYVO2&R BNW CNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
10 ug/plate
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 2,879,1981

Safety Information

[ RTECS ]:
AF5650000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzeneacetic acid, a-phenyl-, ethyl ester
  • diethyl 2-(2,4-dinitrophenyl)propanedioate
  • 1-Bromo-2,4-dinitrobenzene
  • ethyl 2-(2,4-dinitrophenyl)acetate
  • Ethyl acetoacetate
  • 2,4-Dinitrochlorobenzene
  • sodium 1,3-diethoxy-1,3-dioxopropan-2-ide
  • Sodium ethoxide
  • sodium acetyl acetic acid ethyl ester
  • Ethanol

DownStream

  • Benzene,1,1'-methylenebis[2,4-dinitro-
  • Ammonia
  • nitrous acid

Related Compounds

  • 1-(5-chloro-2-methoxyphenyl)-4-[1-(2-ethoxyethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
  • 1-[1-(3-Phenylpropyl)benzimidazol-2-yl]butan-1-ol
  • 2-{1-[2-(2-Methoxyphenoxy)ethyl]benzimidazol-2-yl}ethan-1-ol
  • 2-[1-(2-methylbenzyl)-1H-benzimidazol-2-yl]ethanol
  • 2-[(azepan-1-yl)methyl]-1-(2-phenoxyethyl)-1H-1,3-benzodiazole
  • N-[(1-{[4-(tert-butyl)phenyl]methyl}benzimidazol-2-yl)methyl]-2-furyl-N-methyl carboxamide
  • 2-{2-[2-(2,3-Dimethylphenoxy)ethylthio]benzimidazolyl}acetic acid
  • N-cyclopropyl-2-{2-[2-(4-methoxyphenoxy)ethylthio]benzimidazolyl}acetamide
  • 1-[2-(1-Ethylbenzimidazol-2-ylthio)ethoxy]-2-methylbenzene
  • 5-((Dimethylamino)methyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-amine