2,3,5,6-Tetrafluoro-4-hydroxybenzoic acid hydrate - CAS 207738-02-1

Catalog:	BB016273
Product Name:	2,3,5,6-Tetrafluoro-4-hydroxybenzoic acid hydrate
CAS:	207738-02-1
Synonyms:	Benzoic acid, 2,3,5,6-tetrafluoro-4-hydroxy-, hydrate (1:x)

Technical Data

Safety and Hazards

Patents

Computed Properties

Related CAS:	652-34-6 (anhydrous) 143201-17-6 (monohydrate)
IUPAC Name:	2,3,5,6-tetrafluoro-4-hydroxybenzoic acid;hydrate
Molecular Weight:	210.08 (anhydrous basis)
Molecular Formula:	C7H2F4O3.xH2O
Canonical SMILES:	C1(=C(C(=C(C(=C1F)F)O)F)F)C(=O)O.O
InChI:	InChI=1S/C7H2F4O3.H2O/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;/h12H,(H,13,14);1H2
InChI Key:	BTXKLSXOHABRQQ-UHFFFAOYSA-N
Melting Point:	104-107 ℃(lit.)
Purity:	95%
LogP:	1.58250

Publication Number	Title	Priority Date
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
US-2015239931-A1	Inhibitors of protein tyrosine phosphatases	20121004
US-9340574-B2	Inhibitors of protein tyrosine phosphatases	20121004
WO-2014055768-A1	Inhibitors of protein tyrosine phosphatases	20121004
DE-102010047714-A1	Derivatives of steroid benzylamines with antiparasitic, antibacterial, antifungal and / or antiviral activity	20101006

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[151585-93-2]
2-Amino-6-fluorobenzaldehyde

Other Pyrimidines

[452-76-6]
2,4-Difluorotoluene
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine
[932236-53-8]
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine
[113583-35-0]
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
[672-45-7]
6-(Trifluoromethyl)uracil

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.00457125
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	228.00457125
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0