3-Chloro-4-fluorophenol - CAS 2613-23-2

Catalog:	BB019143
Product Name:	3-Chloro-4-fluorophenol
CAS:	2613-23-2
Synonyms:	3-chloro-4-fluorophenol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-chloro-4-fluorophenol
Description:	3-Chloro-4-fluorophenol post-translationally stabilizes survival motor neuron protein for treatment of spinal muscular atrophy.
Molecular Weight:	146.55
Molecular Formula:	C6H4ClFO
Canonical SMILES:	C1=CC(=C(C=C1O)Cl)F
InChI:	InChI=1S/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChI Key:	ZQXLIXHVJVAPLW-UHFFFAOYSA-N
Boiling Point:	104 °C (11 mmHg)
Melting Point:	38-40 °C
Purity:	98 %
Density:	1.408 g/cm³
Appearance:	Cream-colored to brown solid
MDL:	MFCD00002257
LogP:	2.18470

Publication Number	Title	Priority Date
CN-112479825-A	Synthetic method of compound containing fluorophenol structure	20201126
CN-112979424-A	Synthetic method of compound containing fluorophenol structure	20201126
WO-2021198149-A1	Substituted 3-phenoxyazetidin-1-yl-pyrazines having gpr52 agonistic activity	20200330
CN-111303118-A	Compounds and their use in the treatment of hepatitis B	20200217
WO-2021127397-A1	Nitrogen heterocyclic compounds and methods of use	20191219

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Related Functional Groups

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Oxygen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[77987-49-6]
Z-Glycinol
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
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[1011396-69-2]
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2,2'-Dimethoxy-1,1'-binaphthalene

GHS Hazard Statement:	H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.9934706
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.9934706
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4