3,5-Difluorophenol - CAS 2713-34-0

Catalog:	BB019477
Product Name:	3,5-Difluorophenol
CAS:	2713-34-0
Synonyms:	3,5-difluorophenol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3,5-difluorophenol
Description:	3,5-Difluorophenol (CAS# 2713-34-0) is a useful research chemical.
Molecular Weight:	130.09
Molecular Formula:	C6H4F2O
Canonical SMILES:	C1=C(C=C(C=C1F)F)O
InChI:	InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChI Key:	HJSSBIMVTMYKPD-UHFFFAOYSA-N
Boiling Point:	175.4 °C at 760 mmHg
Purity:	98 %
Density:	1.351 g/cm³
Appearance:	White to beige crystals
MDL:	MFCD00002255
LogP:	1.67040

Publication Number	Title	Priority Date
WO-2021127643-A1	Fluoroalkyl-oxadiazoles and uses thereof	20191220
US-2021179943-A1	Compound, liquid crystal composition and high-frequency phase shifter	20191212
WO-2021097240-A1	Compounds and uses thereof	20191113
WO-2021054459-A1	Benzotriazole compound, light absorber, and resin composition	20190918
WO-2021047674-A1	Bicyclic compound that acts as crbn protein regulator	20190912

PMID	Publication Date	Title	Journal
19672489	20090907	Trapping tyrosinase key active intermediate under turnover	Dalton transactions (Cambridge, England : 2003)
21581344	20081120	Ethyl 2-(4-chloro-phenyl)-3-(3,5-di-fluoro-phenoxy)acrylate	Acta crystallographica. Section E, Structure reports online
18501600	20080615	Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols	Bioorganic & medicinal chemistry letters
18242985	20080301	Carbonic anhydrase inhibitors: interactions of phenols with the 12 catalytically active mammalian isoforms (CA I-XIV)	Bioorganic & medicinal chemistry letters
15115406	20040506	Significant differences in biological parameters between prodrugs cleavable by carboxypeptidase G2 that generate 3,5-difluoro-phenol and -aniline nitrogen mustards in gene-directed enzyme prodrug therapy systems	Journal of medicinal chemistry

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1597-32-6]
2-Amino-6-fluoropyridine

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[1489-53-8]
1,2,3-Trifluorobenzene

Oxygen Compounds

[544-62-7]
Batyl alcohol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

GHS Hazard Statement:	H302 (95.83%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	87.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.02302107
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.02302107
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8