5-Amino-2,4-dichlorophenol - CAS 39489-79-7

Catalog:	BB023999
Product Name:	5-Amino-2,4-dichlorophenol
CAS:	39489-79-7
Synonyms:	5-amino-2,4-dichlorophenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-amino-2,4-dichlorophenol
Description:	5-Amino-2,4-dichlorophenol (CAS# 39489-79-7) is an intermediate used in the preparation of aromatic amines and chloroacetyl derivatives.
Molecular Weight:	178.02
Molecular Formula:	C6H5Cl2NO
Canonical SMILES:	C1=C(C(=CC(=C1O)Cl)Cl)N
InChI:	InChI=1S/C6H5Cl2NO/c7-3-1-4(8)6(10)2-5(3)9/h1-2,10H,9H2
InChI Key:	QPHMVRPABQUYGN-UHFFFAOYSA-N
Boiling Point:	292.6 °C at 760 mmHg
Melting Point:	133-137 °C
Purity:	98 %
Density:	1.56 g/cm³
Appearance:	Off-white to beige crystalline powder
MDL:	MFCD00186187
LogP:	2.86240

Publication Number	Title	Priority Date
US-2021283024-A1	Compositions for coloring hair including ultra-efficient high aqueous, multi-lamellar emulsion systems, and methods of making the same	20200313
WO-2021183716-A1	Compositions for coloring hair including ultra-efficient high aqueous, multi-lamellar emulsion systems, and methods of making the same	20200313
US-2020299671-A1	Immobilized multi-enzymatic halogenation system	20190319
US-2019388318-A1	Auto-oxidizing aerosol foam hair color	20180621
WO-2019240082-A1	Uracil compound and use thereof	20180611

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Related Functional Groups

Oxygen Compounds

[544-62-7]
Batyl alcohol
[1427004-19-0]
DBCO-PEG4-NHS ester
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[832740-55-3]
3-[(4-Chloro-2-methylphenoxy)methyl]-4-methoxybenzaldehyde

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, 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:	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:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4