3,5-Dinitrobenzil

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

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

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

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

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

Precursor 7
CAS#:134-81-6 Benzil CAS#:642-36-4 4,5-DIPHENYLIMI... CAS#:99-61-6 3-Nitrobenzaldehyde CAS#:119-53-9 Benzoin
CAS#:56856-43-0 1-(3-nitropheny... CAS#:7664-93-9 Sulfuric acid CAS#:7697-37-2 nitric acid
DownStream 4
CAS#:99-34-3 3,5-Dinitrobenz... CAS#:860559-66-6 3,5,3',5'-Tetra... CAS#:645-09-0 3-NITROBENZAMIDE CAS#:121-92-6 3-Nitrobenzoic acid

Name: Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholi...
Source: ChEMBL
Target: Acetylcholinesterase
External Id: CHEMBL829841

Name: Inhibition of human carboxylesterase 1
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL1019596

Name: Inhibition of rabbit carboxylesterase
Source: ChEMBL
Target: N/A
External Id: CHEMBL1019597

Name: Inhibition of human intestinal carboxylesterase
Source: ChEMBL
Target: N/A
External Id: CHEMBL1019595

Name: Lipophilicity, log P of the compound
Source: ChEMBL
Target: N/A
External Id: CHEMBL1019604

Name: Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophe...
Source: ChEMBL
Target: Cocaine esterase
External Id: CHEMBL839684

Name: Enzyme Inhibition Assay from Article 10.1021/jm049011j: "Identification and character...
Source: BindingDB
Target: N/A
External Id: BindingDB_2621_1

Name: Inhibition constant against rabbit liver carboxylesterase (rCE) using nitrophenyl ace...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL828256

Name: Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocho...
Source: ChEMBL
Target: Cholinesterase
External Id: CHEMBL828255

Name: Inhibition constant against human liver carboxylesterase 1 (hCE1) using nitrophenyl a...
Source: ChEMBL
Target: Liver carboxylesterase 1
External Id: CHEMBL828284

Total 10, Current Page 1 of 1

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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Product Name: 3,5-Dinitrobenzil
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3,5-Dinitrobenzil

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

3,5-DinitrobenzilBioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.