3,5-Dinitrobenzil

Modify Date: 2025-08-26 10:12:43

3,5-Dinitrobenzil Structure
3,5-Dinitrobenzil structure
Common Name 3,5-Dinitrobenzil
CAS Number 5913-06-4 Molecular Weight 300.22300
Density 1.471g/cm3 Boiling Point 505ºC at 760 mmHg
Molecular Formula C14H8N2O6 Melting Point N/A
MSDS N/A Flash Point 253ºC

 Names

Name 1,2-bis(3-nitrophenyl)ethane-1,2-dione
Synonym More Synonyms

 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
InChIKey SGKVXDKTNJHBCA-UHFFFAOYSA-N
SMILES O=C(C(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1

 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

 Synonyms

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
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