6-Bromo-2-chlorobenzimidazole - CAS 683240-76-8

Catalog:	BB033521
Product Name:	6-Bromo-2-chlorobenzimidazole
CAS:	683240-76-8
Synonyms:	6-bromo-2-chloro-1H-benzimidazole; 6-bromo-2-chloro-1H-benzimidazole

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Computed Properties

IUPAC Name:	6-bromo-2-chloro-1H-benzimidazole
Description:	6-Bromo-2-chlorobenzimidazole (CAS# 683240-76-8) is a useful research chemical.
Molecular Weight:	231.48
Molecular Formula:	C7H4BrClN2
Canonical SMILES:	C1=CC2=C(C=C1Br)NC(=N2)Cl
InChI:	InChI=1S/C7H4BrClN2/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H,10,11)
InChI Key:	QVVZVWKGWGFUTA-UHFFFAOYSA-N
Boiling Point:	387.32 °C at 760 mmHg
Density:	1.878 g/cm³
Appearance:	Solid
LogP:	2.97880

Publication Number	Title	Priority Date
WO-2021193756-A1	Novel benzimidazole derivative	20200325
EP-3328860-B1	Process for the preparation of benzimidazo[1,2-a]benzimidazoles	20150728
TW-201718588-A	Method for preparing benzimidazo[1,2-a]benzimidazole	20150728
US-10570136-B2	Process for the preparation of benzimidazo[1,2-a] benzimidazoles	20150728
US-2018170936-A1	Process for the preparation of benzimidazo[1,2-a] benzimidazoles	20150728

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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:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.92464
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.92464
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3