3,4-Dibromonitrobenzene - CAS 5411-50-7

Catalog:	BB028504
Product Name:	3,4-Dibromonitrobenzene
CAS:	5411-50-7
Synonyms:	1,2-dibromo-4-nitrobenzene; 1,2-dibromo-4-nitrobenzene

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Computed Properties

IUPAC Name:	1,2-dibromo-4-nitrobenzene
Description:	3,4-Dibromonitrobenzene (CAS# 5411-50-7) is a useful research chemical.
Molecular Weight:	280.90
Molecular Formula:	C6H3Br2NO2
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])Br)Br
InChI:	InChI=1S/C6H3Br2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
InChI Key:	DLLDRYLYVHKDKK-UHFFFAOYSA-N
LogP:	3.64300

Publication Number	Title	Priority Date
CN-112094248-A	Substituted benzothiazole compound and application thereof	20200917
CN-110981702-A	Efficient synthesis method of 2, 3-dibromophenol or derivatives thereof	20191105
CN-108191782-A	The preparation method of a kind of monosubstituted benzotriazole small molecule	20171215
CN-105669590-A	Catalyst-free technique for synthesizing phenothiazine drug intermediate	20160308
US-2017186972-A1	Organic electroluminescent compound and organic photoelectric apparatus thereof	20151225

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	280.85100
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	278.85305
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1