2-Chloro-6-fluorophenol - CAS 2040-90-6

Catalog:	BB015901
Product Name:	2-Chloro-6-fluorophenol
CAS:	2040-90-6
Synonyms:	2-chloro-6-fluorophenol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-chloro-6-fluorophenol
Description:	2-Chloro-6-fluorophenol (CAS# 2040-90-6) is a useful research chemical.
Molecular Weight:	146.55
Molecular Formula:	C6H4ClFO
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)O)F
InChI:	InChI=1S/C6H4ClFO/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChI Key:	QIAQIYQASAWZPP-UHFFFAOYSA-N
Boiling Point:	160.6 °C at 760 mmHg
Melting Point:	62-65 °C
Purity:	99 %
Density:	1.408 g/cm³
Appearance:	Clear very slight yellow.
Storage:	Store in a cool, dry place. Keep container closed when not in use.
MDL:	MFCD01631574
LogP:	2.18470

Publication Number	Title	Priority Date
CN-112142567-A	Preparation method of 2-fluoro-3-chlorophenol	20201012
CN-113493442-A	Pyrrolidone derivative as glucokinase activator and its preparation method and use	20200403
WO-2021156787-A1	Heterocyclic compounds as dihydroorotate dehydrogenase inhibitors	20200204
WO-2021105916-A1	Sulfonamide compounds targeting cd73 and adenosine receptors	20191126
US-2020241414-A1	Resist composition and patterning process	20190129

PMID	Publication Date	Title	Journal
21793595	20110908	Hydrogen-atom tunneling in isomerization around the C-O bond of 2-chloro-6-fluorophenol in low-temperature argon matrixes	The journal of physical chemistry. A
15715640	20050101	Identification of medicinal off-flavours generated by Alicyclobacillus species in orange juice using GC-olfactometry and GC-MS	Letters in applied microbiology
12583699	20030201	A community exposure to 2-chloro-6-fluorophenol	Veterinary and human toxicology

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Related Functional Groups

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Oxygen Compounds

[544-62-7]
Batyl alcohol
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[37503-42-7]
2-Hydroxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
[1468-95-7]
9-Anthracenemethanol
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GHS Hazard Statement:	H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P260, P261, P264, P270, P272, P273, P280, P281, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P321, P330, P333+P313, P363, P391, P405, and P501
Signal Word:	Danger

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:	2.2