4-Fluoro-3-(trifluoromethyl)phenylacetic acid - CAS 220227-47-4

Catalog:	BB017286
Product Name:	4-Fluoro-3-(trifluoromethyl)phenylacetic acid
CAS:	220227-47-4
Synonyms:	2-[4-fluoro-3-(trifluoromethyl)phenyl]acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-[4-fluoro-3-(trifluoromethyl)phenyl]acetic acid
Description:	4-Fluoro-3-(trifluoromethyl)phenylacetic acid (CAS# 220227-47-4 ) is a useful research chemical.
Molecular Weight:	222.14
Molecular Formula:	C9H6F4O2
Canonical SMILES:	C1=CC(=C(C=C1CC(=O)O)C(F)(F)F)F
InChI:	InChI=1S/C9H6F4O2/c10-7-2-1-5(4-8(14)15)3-6(7)9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key:	MGQPQAYFSXCYPW-UHFFFAOYSA-N
Boiling Point:	263.1 °C at 760 mmHg
Melting Point:	51-55 °C(lit.)
Purity:	98 %
Density:	1.436 g/cm³
Appearance:	Solid
MDL:	MFCD00061190
LogP:	2.47160

Publication Number	Title	Priority Date
US-2013085142-A1	SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS	20110929
US-8669255-B2	Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers	20110929
WO-2013049164-A1	SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS	20110929
US-2012157494-A1	Isoindolyl compounds	20101216
AU-2011232516-A1	Chemical compounds	20100325

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[4313-03-5]
2,4-Heptadienal
[606-18-8]
2-Amino-3-nitrobenzoic Acid

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[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
[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
[151585-93-2]
2-Amino-6-fluorobenzaldehyde

Other Pyrimidines

[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[860790-29-0]
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
[77776-68-2]
2,4,8-Trichloropyrimido[5,4-d]pyrimidine
[246847-98-3]
2-Amino-5-chloro-3-fluoropyridine
[672-45-7]
6-(Trifluoromethyl)uracil

GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.03039208
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.03039208
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4