2,3,5,6-Tetrafluorophenol - CAS 769-39-1

Catalog:	BB035762
Product Name:	2,3,5,6-Tetrafluorophenol
CAS:	769-39-1
Synonyms:	2,3,5,6-tetrafluorophenol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,3,5,6-tetrafluorophenol
Description:	2,3,5,6-Tetrafluorophenol (CAS# 769-39-1) is a reagent in the preparation of polyfluorophenyl ester-terminated homobifunctional cross-linkers to be used in protein conjugation.
Molecular Weight:	166.07
Molecular Formula:	C6H2F4O
Canonical SMILES:	C1=C(C(=C(C(=C1F)F)O)F)F
InChI:	InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H
InChI Key:	PBYIIRLNRCVTMQ-UHFFFAOYSA-N
Boiling Point:	140 °C
Purity:	98 %
Density:	1.586 g/cm³
Appearance:	White solid
MDL:	MFCD00002157
LogP:	1.94860

Publication Number	Title	Priority Date
CN-113214050-A	Method for synthesizing 2,3,5, 6-tetrafluorophenol	20210515
CN-113150287-A	Preparation method of cross-linkable fluorine-containing polyphosphazene	20210421
CN-113004144-A	Synthesis method of perfluorobisphenol A	20210309
RU-2756921-C1	Method for obtaining remdesivir and phosphoramidates	20201120
CN-112390760-A	FAK-targeting compound and preparation method and application thereof	20201015

PMID	Publication Date	Title	Journal
18509635	20081001	Tetrafluorophenolate of HBED-CC: a versatile conjugation agent for 68Ga-labeled small recombinant antibodies	European journal of nuclear medicine and molecular imaging

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[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

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol

Oxygen Compounds

[544-62-7]
Batyl alcohol
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[5416-55-7]
2,2,6,6-Tetrakis(hydroxymethyl)cyclohexanol
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[88-60-8]
2-tert-Butyl-5-methylphenol
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

GHS Hazard Statement:	H302 (14.58%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.00417733
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.00417733
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1