4-Amino-3-chlorophenol hydrochloride - CAS 52671-64-4

Catalog:	BB027902
Product Name:	4-Amino-3-chlorophenol hydrochloride
CAS:	52671-64-4
Synonyms:	4-amino-3-chlorophenol;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	4-amino-3-chlorophenol;hydrochloride
Description:	4-Amino-3-chlorophenol hydrochloride (CAS# 52671-64-4) is a useful research chemical.
Molecular Weight:	180.03
Molecular Formula:	C6H7Cl2NO
Canonical SMILES:	C1=CC(=C(C=C1O)Cl)N.Cl
InChI:	InChI=1S/C6H6ClNO.ClH/c7-5-3-4(9)1-2-6(5)8;/h1-3,9H,8H2;1H
InChI Key:	RFJVQGMBFQGZPV-UHFFFAOYSA-N
Boiling Point:	314 ℃ at 760 mmHg
Melting Point:	255 ℃ (dec.)
Density:	1.406 g/cm³
Appearance:	Grey to brown powder, crystals, crystalline powder and/or chunks
MDL:	MFCD00143110
LogP:	3.01100

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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:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.9904692
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	178.9904692
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0