1,2-Diamino-5-bromo-3-chlorobenzene - CAS 16429-44-0

Catalog:	BB012089
Product Name:	1,2-Diamino-5-bromo-3-chlorobenzene
CAS:	16429-44-0
Synonyms:	5-bromo-3-chlorobenzene-1,2-diamine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-3-chlorobenzene-1,2-diamine
Description:	1,2-Diamino-5-bromo-3-chlorobenzene (CAS# 16429-44-0) is a useful research chemical.
Molecular Weight:	221.48
Molecular Formula:	C6H6BrClN2
Canonical SMILES:	C1=C(C=C(C(=C1Cl)N)N)Br
InChI:	InChI=1S/C6H6BrClN2/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,9-10H2
InChI Key:	VLJIODKDXFJLRA-UHFFFAOYSA-N
Boiling Point:	306.1 °C at 760 mmHg
Density:	1.813 g/cm³
LogP:	3.42930

Publication Number	Title	Priority Date
CA-3103120-A1	Chemical compounds	20191220
US-2021188829-A1	Chemical Compounds	20191220
WO-2021124155-A1	Benzimidazole derivatives	20191220
US-10336701-B2	Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists	20170810
US-10399944-B2	Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists	20170810

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Related Functional Groups

Nitrogen Compounds

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[78056-67-4]
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[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P313, P362+P364, P363, P405, and P501
Signal Word:	Danger

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.94029
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	219.94029
Rotatable Bond Count:	0
Topological Polar Surface Area:	52
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9