4-Bromo-5-fluoro-o-phenylenediamine - CAS 153505-37-4

Catalog:	BB010908
Product Name:	4-Bromo-5-fluoro-o-phenylenediamine
CAS:	153505-37-4
Synonyms:	4-bromo-5-fluorobenzene-1,2-diamine; 4-bromo-5-fluorobenzene-1,2-diamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-5-fluorobenzene-1,2-diamine
Description:	4-Bromo-5-fluoro-o-phenylenediamine (CAS# 153505-37-4) is a useful research chemical.
Molecular Weight:	205.03
Molecular Formula:	C6H6BrFN2
Canonical SMILES:	C1=C(C(=CC(=C1F)Br)N)N
InChI:	InChI=1S/C6H6BrFN2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
InChI Key:	NDXWAQNAHFBGML-UHFFFAOYSA-N
Boiling Point:	297 °C at 760 mmHg
Density:	1.792 g/cm³
LogP:	2.91500

Publication Number	Title	Priority Date
CA-3103120-A1	Chemical compounds	20191220
US-2021188829-A1	Chemical Compounds	20191220
WO-2021124155-A1	Benzimidazole derivatives	20191220
WO-2020240492-A1	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20190531
WO-2020007964-A1	2-(2-azabicyclo[3.1.0]hexan-1-yl)-1h-benzimidazole derivatives	20180705

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Related Functional Groups

Amines and Anilines

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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:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.96984
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	203.96984
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4