2-Chloro-3,5-difluorophenol - CAS 206986-81-4

Catalog:	BB016159
Product Name:	2-Chloro-3,5-difluorophenol
CAS:	206986-81-4
Synonyms:	2-chloro-3,5-difluorophenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-3,5-difluorophenol
Description:	2-Chloro-3,5-difluorophenol (CAS# 206986-81-4) is a useful research chemical compound.
Molecular Weight:	164.54
Molecular Formula:	C6H3ClF2O
Canonical SMILES:	C1=C(C=C(C(=C1F)Cl)O)F
InChI:	InChI=1S/C6H3ClF2O/c7-6-4(9)1-3(8)2-5(6)10/h1-2,10H
InChI Key:	ZQWULOHSTAQTKJ-UHFFFAOYSA-N
Boiling Point:	76 ℃37 mmHg (lit.)
Melting Point:	45-46 ℃ (lit.)
Purity:	95 %
Density:	1.52 g/cm³
Appearance:	White to off-white crystalline solid
MDL:	MFCD00075400
LogP:	2.32380

Publication Number	Title	Priority Date
AU-2016276947-A1	Aryl dihydro-2h-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORy and the treatment of disease	20150611
CA-2987289-A1	Aryl dihydro-2h-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of ror.gamma. and the treatment of disease	20150611
EP-3307738-A1	Aryl dihydro-2h-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of rory and the treatment of disease	20150611
JP-2018516963-A	Aryldihydro-2H-benzo [b] [1,4] oxazinesulfonamides and related compounds for use as agonists of RORÎ³ and treatment of diseases	20150611
KR-20180025894-A	Benzo [B] [1,4] oxazinesulfonamides and related compounds for use as agonists of RORY and the treatment of diseases	20150611

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Related Functional Groups

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Other Pyrimidines

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Oxygen Compounds

[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5896-75-3]
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[1011396-69-2]
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GHS Hazard Statement:	H228 (100%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, 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:	163.9840487
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.9840487
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4