α,α-Difluorophenylacetic acid - CAS 360-03-2

Catalog:	BB022829
Product Name:	α,α-Difluorophenylacetic acid
CAS:	360-03-2
Synonyms:	2,2-difluoro-2-phenylacetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,2-difluoro-2-phenylacetic acid
Description:	α,α-Difluorophenylacetic acid (CAS# 360-03-2) is a useful research chemical.
Molecular Weight:	172.13
Molecular Formula:	C8H6F2O2
Canonical SMILES:	C1=CC=C(C=C1)C(C(=O)O)(F)F
InChI:	InChI=1S/C8H6F2O2/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H,(H,11,12)
InChI Key:	PFKSLFZFBCIJOI-UHFFFAOYSA-N
Boiling Point:	253 °C at 760 mmHg
Melting Point:	76-77 °C
Purity:	95 %
Density:	1.338 g/cm³
Appearance:	Off-white powder
MDL:	MFCD00498146
LogP:	1.86300

Publication Number	Title	Priority Date
WO-2021041973-A1	Perk inhibiting compounds	20190829
US-2020247785-A1	IL-17 Ligands And Uses Thereof	20190206
WO-2020163554-A1	Il-17a modulators and uses thereof	20190206
TW-202045481-A	Il-17a modulators and uses thereof	20190206
WO-2020079205-A1	New amino-pyrimidonyl-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20181019

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate

Other Pyrimidines

[1597-32-6]
2-Amino-6-fluoropyridine
[937601-34-8]
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid
[312635-16-8]
5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

GHS Hazard Statement:	H314 (13.33%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.03358575
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.03358575
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1