2-Amino-4,5-dichlorophenol - CAS 28443-57-4

Catalog:	BB054915
Product Name:	2-Amino-4,5-dichlorophenol
CAS:	28443-57-4
Synonyms:	2-Amino-4,5-dichlorophenol

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Computed Properties

IUPAC Name:	2-amino-4,5-dichlorophenol
Description:	2-Amino-4,5-dichlorophenol
Molecular Weight:	178.02
Molecular Formula:	C6H5Cl2NO
Canonical SMILES:	C1=C(C(=CC(=C1Cl)Cl)O)N
InChI:	InChI=1S/C6H5Cl2NO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H,9H2
InChI Key:	UVIBWGFLURLRHR-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-109053497-B	Preparation method and application of hydroxylated triclocarban	20180717
EP-3569575-A1	Method for the destruction of halogenated para- or ortho-substituted hydroxyaniline	20180518
EP-3569575-B1	Method for the destruction of halogenated para- or ortho-substituted hydroxyaniline	20180518
TW-201821105-A	Method of using HDAC11 inhibitor	20161020
US-10508088-B2	Methods using HDAC11 inhibitors	20161020
US-10538496-B2	Methods using HDAC11 inhibitors	20161020
US-2018127386-A1	Methods using hdac11 inhibitors	20161020
US-2019084945-A1	Methods using hdac11 inhibitors	20161020
US-2019084946-A1	Methods using hdac11 inhibitors	20161020
US-2020079744-A1	Methods using hdac11 inhibitors	20161020

PMID	Publication Date	Title	Journal
11882351	20020320	Characterization of 2-amino-4,5-dichlorophenol (2A45CP) in vitro toxicity in renal cortical slices from male Fischer 344 rats	Toxicology

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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:	176.9748192
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.9748192
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4