2-Chloro-1,3-dinitrobenzene - CAS 606-21-3

Catalog:	BB030749
Product Name:	2-Chloro-1,3-dinitrobenzene
CAS:	606-21-3
Synonyms:	2-chloro-1,3-dinitrobenzene; 2-chloro-1,3-dinitrobenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-chloro-1,3-dinitrobenzene
Description:	2-Chloro-1,3-dinitrobenzene (CAS# 606-21-3) is a thiol-modifying agent.
Molecular Weight:	202.55
Molecular Formula:	C6H3ClN2O4
Canonical SMILES:	C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI:	InChI=1S/C6H3ClN2O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H
InChI Key:	BPPMIQPXQVIZNJ-UHFFFAOYSA-N
Boiling Point:	311.9 ℃ at 760 mmHg
Melting Point:	86-87 °C
Density:	1.687 g/cm³
Solubility:	Moderately soluble in benzene, ether; soluble in alcohol. Practically insoluble in water.
Appearance:	Solid
MDL:	MFCD00014689
LogP:	3.20280

Publication Number	Title	Priority Date
WO-2020216378-A1	Heterocyclic compound, application thereof, and composition containing same	20190426
WO-2020055382-A1	Topical immunosensitizers to treat viral and fungal infections	20180911
US-2021186863-A1	Topical immunosensitizers to treat viral and fungal infections	20180911
WO-2019156365-A1	Peptide nucleic acid complex having endosomal escape capacity, and use thereof	20180208
WO-2019156366-A1	Skin-permeating carrier containing nucleic acid complex and use thereof	20180208

PMID	Publication Date	Title	Journal
22072903	20110101	Hepatoprotective and antioxidant effects of licorice extract against CCl₄-induced oxidative damage in rats	International journal of molecular sciences
11085954	20001201	The conserved redox-sensitive cysteine residue of the DNA-binding region in the c-Rel protein is involved in the regulation of the phosphorylation of the protein	The Biochemical journal

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[618-40-6]
1-Methyl-1-phenylhydrazine

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P271, P273, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P314, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.9781343
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.9781343
Rotatable Bond Count:	0
Topological Polar Surface Area:	91.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8