2,3,4,5,6-Pentafluorophenylacetic acid - CAS 653-21-4

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

Catalog:	BB032698
Product Name:	2,3,4,5,6-Pentafluorophenylacetic acid
CAS:	653-21-4
Synonyms:	2-(2,3,4,5,6-pentafluorophenyl)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(2,3,4,5,6-pentafluorophenyl)acetic acid
Description:	2,3,4,5,6-Pentafluorophenylacetic acid (CAS# 653-21-4) is a useful research chemical.
Molecular Weight:	226.10
Molecular Formula:	C8H3F5O2
Canonical SMILES:	C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O
InChI:	InChI=1S/C8H3F5O2/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11/h1H2,(H,14,15)
InChI Key:	LGCODSNZJOVMHV-UHFFFAOYSA-N
Boiling Point:	235.3 °C at 760 mmHg
Melting Point:	108-110 °C (lit.)
Purity:	95 %
Density:	1.639 g/cm³
Appearance:	White crystalline powder
MDL:	MFCD00004316
LogP:	2.00920

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[1975118-13-8]C11H11F2N3
4-[3-(Difluoromethyl)-4-methyl-1H-pyrazol-1-yl]aniline
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
[51516-70-2]C10H7FN4
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile

Other Pyrimidines

[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[452-76-6]C7H6F2
2,4-Difluorotoluene
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate

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-2021170886-A2	Electronic device	20200806
CN-111135810-A	Preparation method of special chromatographic separation medium for cannabidiol separation	20200122
US-2021213172-A1	Thermosensitive peptide hydrogel	20200110
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
CN-111868253-A	Method for extracting nucleic acid	20180316

Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.00532014
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.00532014
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9