2,4-Dichloro-6-nitrophenol - CAS 609-89-2

Name: 2,4-Dichloro-6-nitrophenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030887
Product Name:	2,4-Dichloro-6-nitrophenol
CAS:	609-89-2
Synonyms:	2,4-dichloro-6-nitrophenol

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Computed Properties

IUPAC Name:	2,4-dichloro-6-nitrophenol
Description:	2,4-Dichloro-6-nitrophenol (CAS# 609-89-2) is a useful research chemical.
Molecular Weight:	208.00
Molecular Formula:	C6H3Cl2NO3
Canonical SMILES:	C1=C(C=C(C(=C1Cl)O)[N+](=O)[O-])Cl
InChI:	InChI=1S/C6H3Cl2NO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H
InChI Key:	LYPMXMBQPXPNIQ-UHFFFAOYSA-N
Boiling Point:	243 °C
Purity:	98 %
Density:	1.682 g/cm³
Appearance:	Yellow to orange powder
MDL:	MFCD00007101
LogP:	3.13040
Vapor Pressure:	0.000057 [mmHg]

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Related Functional Groups

Oxygen Compounds

[544-62-7]C21H44O3
Batyl alcohol
[5896-75-3]C20H25N3O3
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1263034-11-2]C38H53N3O2
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-110041201-A	A kind of preparation method of the chloro- 6- nitrophenol of oxyclozanide intermediate 2,4- bis-	20180115
CN-108059602-A	A kind of preparation method of oxyclozanide intermediate 2-amino -4,6- chlorophenesic acid organic solution	20161108
CA-2897924-A1	Urea derivatives and their use as fatty-acid binding protein (fabp) inhibitors	20130320
JP-2016514714-A	Urea derivatives and their use as fatty acid binding protein (FABP) inhibitors	20130320
JP-6426697-B2	Urea derivatives and their use as fatty acid binding protein (FABP) inhibitors	20130320

PMID	Publication Date	Title	Journal
20822131	20110101	Modeling phototransformation reactions in surface water bodies: 2,4-dichloro-6-nitrophenol as a case study	Environmental science & technology
22649387	20110101	Neurosteroid biosynthesis in the brain of amphibians	Frontiers in endocrinology
20833158	20101205	Mitochondrial dysfunction and biotransformation of β-carboline alkaloids, harmine and harmaline, on isolated rat hepatocytes	Chemico-biological interactions
17539515	20070501	Occurrence of 2,4-dichlorophenol and of 2,4-dichloro-6-nitrophenol in the Rhone River Delta (Southern France)	Environmental science & technology
16716652	20061201	FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2,4-dichloro-6-nitrophenol	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.9489983
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	206.9489983
Rotatable Bond Count:	0
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5