7-Bromo-1H-benzimidazole - CAS 83741-35-9

Catalog:	BB037087
Product Name:	7-Bromo-1H-benzimidazole
CAS:	83741-35-9
Synonyms:	4-bromo-1H-benzimidazole; 4-bromo-1H-benzimidazole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-1H-benzimidazole
Description:	7-Bromo-1H-benzimidazole (CAS# 83741-35-9) is used in the preparation of antibody drug conjugates with NAMPT inhibitors for use in treatment of cancer.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=CC2=C(C(=C1)Br)N=CN2
InChI:	InChI=1S/C7H5BrN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
InChI Key:	MUQFMGBYYAOIJK-UHFFFAOYSA-N
Boiling Point:	417.4 °C at 760 mmHg
Density:	1.77 g/cm³
MDL:	MFCD09754164
LogP:	2.32540

Publication Number	Title	Priority Date
WO-2021173917-A1	Inhibitors of receptor interacting protein kinase i for the treatment of disease	20200228
CN-113004336-A	Transition metal complexes, polymers, mixtures, compositions and organic electronic devices	20191220
WO-2021127333-A1	Trpml modulators	20191219
CN-113024435-A	Linbicyclic structure sigma-1 receptor inhibitors	20191209
CN-112812113-A	Immunomodulatory compounds, compositions and uses thereof	20191115

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GHS Hazard Statement:	H302 (50%): 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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.96361
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2