4-Chloro-1-iodo-2-nitrobenzene - CAS 5446-05-9

Catalog:	BB028678
Product Name:	4-Chloro-1-iodo-2-nitrobenzene
CAS:	5446-05-9
Synonyms:	4-chloro-1-iodo-2-nitrobenzene; 4-chloro-1-iodo-2-nitrobenzene

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-chloro-1-iodo-2-nitrobenzene
Description:	4-Chloro-1-iodo-2-nitrobenzene (CAS# 5446-05-9) is a useful research chemical.
Molecular Weight:	283.45
Molecular Formula:	C6H3ClINO2
Canonical SMILES:	C1=CC(=C(C=C1Cl)[N+](=O)[O-])I
InChI:	InChI=1S/C6H3ClINO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChI Key:	ZLQFWQOAQQBLLZ-UHFFFAOYSA-N
Boiling Point:	297.7 °C at 760 mmHg
Density:	2.094 g/cm³
LogP:	3.37600

Publication Number	Title	Priority Date
KR-20200089172-A	Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof	20190116
CN-110551131-A	Organic electroluminescent device and condensed cyclic compound for organic electroluminescent device	20180601
EP-3575302-A1	Organic electroluminescence device and condensed cyclic compound for organic electroluminescence device	20180601
JP-2019210286-A	Organic electroluminescent device and condensed ring compound for organic electroluminescent device	20180601
US-2019372019-A1	Organic electroluminescence device and condensed cyclic compound for organic electroluminescence device	20180601

PMID	Publication Date	Title	Journal
21582195	20090218	4-Chloro-1-iodo-2-nitro-benzene	Acta crystallographica. Section E, Structure reports online

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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
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	282.88970
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	282.88970
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3