2-Amino-5-bromobenzimidazole - CAS 791595-74-9

Catalog:	BB036299
Product Name:	2-Amino-5-bromobenzimidazole
CAS:	791595-74-9
Synonyms:	6-bromo-1H-benzimidazol-2-amine; 6-bromo-1H-benzimidazol-2-amine

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-1H-benzimidazol-2-amine
Description:	2-Amino-5-bromobenzimidazole (CAS# 791595-74-9) is a useful research chemical.
Molecular Weight:	212.05
Molecular Formula:	C7H6BrN3
Canonical SMILES:	C1=CC2=C(C=C1Br)NC(=N2)N
InChI:	InChI=1S/C7H6BrN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)
InChI Key:	YLKNNXAMJFCCPY-UHFFFAOYSA-N
Boiling Point:	425.2 °C at 760 mmHg
Density:	1.867 g/cm³
LogP:	2.48880

Publication Number	Title	Priority Date
WO-2020260252-A1	New macrocyclic compounds and derivatives as egfr inhibitors	20190624
KR-20200107339-A	Organic compound and organic electroluminescent device comprising the same	20190307
WO-2020180127-A1	Organic compound and organic electroluminescent device comprising same	20190307
KR-20190132130-A	Heteroaryl compound exhibiting luminescent, ferroelectric and piezoelectric properties, and electronic device containing the same	20180518
KR-102147235-B1	Heteroaryl compound exhibiting luminescent, ferroelectric and piezoelectric properties, and electronic device containing the same	20180518

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9