3,5-Dinitrobenzil

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Names

[ CAS No. ]:
5913-06-4

[ Name ]:
3,5-Dinitrobenzil

[Synonym ]:
bis(3-nitrophenyl)-ethanedione
Bis(m-nitrophenyl)ethanedione
1,2-bis-(3-nitrophenyl)ethane-1,2-dione
3,5'-Dinitrobenzil
1,2-bis{3-nitrophenyl}-1,2-ethanedione
Ethanedione,bis(3-nitrophenyl)
3,3'-dinitro-benzil
Benzil,3,5'-dinitro
di-meta-nitrobenzyl
3,3'-dinitrobenzyl

Chemical & Physical Properties

[ Density]:
1.471g/cm3

[ Boiling Point ]:
505ºC at 760 mmHg

[ Molecular Formula ]:
C14H8N2O6

[ Molecular Weight ]:
300.22300

[ Flash Point ]:
253ºC

[ Exact Mass ]:
300.03800

[ PSA ]:
125.78000

[ LogP ]:
3.61500

[ Index of Refraction ]:
1.648

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DD1980000
CHEMICAL NAME :
Benzil, 3,5'-dinitro-
CAS REGISTRY NUMBER :
5913-06-4
BEILSTEIN REFERENCE NO. :
2003620
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H8-N2-O6
MOLECULAR WEIGHT :
300.24
WISWESSER LINE NOTATION :
WNR CYQVR CNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03284

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzil
  • 4,5-DIPHENYLIMIDAZOLIN-2-ONE
  • 3-Nitrobenzaldehyde
  • Benzoin
  • 1-(3-nitrophenyl)-2-phenylethane-1,2-dione
  • Sulfuric acid
  • nitric acid

DownStream

  • 3,5-Dinitrobenzoic acid
  • 3,5,3',5'-Tetranitro-benzil
  • 3-NITROBENZAMIDE
  • 3-Nitrobenzoic acid

Related Compounds

  • 3-(5-hydroxy-2-nitrophenyl)prop-2-enoic acid
  • 3,5-DICHLORO-4'-(4-METHYLPIPERAZINOMETHYL) BENZOPHENONE
  • 3,5-bis(chloromethyl)-1,2,4-triazol-4-amine
  • 3-(5-chloro-2-methoxyphenyl)-2-hydroxybenzaldehyde
  • 3,5-bis(methoxymethyl)-1H-1,2,4-triazole
  • 3,5-dimethyl-1,2-thiazole-4-carbonitrile
  • 3-{[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1H-1,2,4-triazol-3-yl]formamido}-2,2-dimethylpropanoic acid
  • 4-[N-ethyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxybutanamido]butanoic acid
  • 2-(2-{3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclopentyl}-N-methylacetamido)acetic acid
  • 5-[(3aR,6aS)-octahydrocyclopenta[c]pyrrol-2-yl]-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-oxopentanoic acid
  • (S)-2-(3-Chloro-5-(5-methyl-3,4,5,6-tetrahydropyridin-2-yl)phenoxy)-N,N-dimethylethan-1-amine
  • 4-{[(4,5-dimethylthiophen-3-yl)methyl]carbamoyl}-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid
  • 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-(6-hydroxy-1,4-oxazepan-4-yl)-5-oxopentanoic acid
  • 4-(3-ethyl-4-hydroxypyrrolidin-1-yl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-oxobutanoic acid
  • 5-(3-ethyl-4-hydroxypyrrolidin-1-yl)-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-oxopentanoic acid
  • 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-{2-[(methylsulfanyl)methyl]pyrrolidin-1-yl}-5-oxopentanoic acid
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