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

Name: 2,3,5,6-Tetrafluoro-4-hydroxybenzoic acid hydrate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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 °C(lit.)
Purity:	95%
LogP:	1.58250

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> 20,000 building blocks and intermediates from stock

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[69616-74-6]C18H18O6
2',4-Dihydroxy-3',4',6'-trimethoxychalcone
[4313-03-5]C7H10O
2,4-Heptadienal

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]C7H6F2
2,4-Difluorotoluene

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene
[1160246-50-3]C14H14F3N3O
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine

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

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

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