2-Amino-4-bromobenzimidazole - CAS 1266114-75-3

Catalog:	BB006611
Product Name:	2-Amino-4-bromobenzimidazole
CAS:	1266114-75-3
Synonyms:	4-bromo-1H-benzimidazol-2-amine; 4-bromo-1H-benzimidazol-2-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-1H-benzimidazol-2-amine
Description:	2-Amino-4-bromobenzimidazole (CAS# 1266114-75-3) is a useful research chemical.
Molecular Weight:	212.05
Molecular Formula:	C7H6BrN3
Canonical SMILES:	C1=CC2=C(C(=C1)Br)N=C(N2)N
InChI:	InChI=1S/C7H6BrN3/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H,(H3,9,10,11)
InChI Key:	YVWBPTWXQVFJIU-UHFFFAOYSA-N
LogP:	1.83770

Publication Number	Title	Priority Date
US-2020369670-A1	REGIO-SELECTIVE SYNTHESIS OF IMIDAZO[1,2-a]PYRIMIDINES	20190509
WO-2020227576-A1	Regio-selective synthesis of imidazo[1,2-a]pyrimidines	20190509
TW-201920161-A	Heterocyclic guanamine as a protein regulator	20160407
CA-2990234-A1	3-tetrazolyl-benzene-1,2-disulfonamide derivatives as metallo-beta-lactamase inhibitors	20150626
EP-3313828-A1	Metallo-beta-lactamase inhibitors	20150626

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.97451
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	210.97451
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8