2-Fluoro-3-(trifluoromethyl)phenylacetic acid - CAS 194943-83-4

Catalog:	BB015093
Product Name:	2-Fluoro-3-(trifluoromethyl)phenylacetic acid
CAS:	194943-83-4
Synonyms:	Benzeneacetic acid, 2-fluoro-3-(trifluoromethyl)-; 2-Fluoro-3-(trifluoromethyl)benzeneacetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-[2-fluoro-3-(trifluoromethyl)phenyl]acetic acid
Molecular Weight:	222.14
Molecular Formula:	C9H6F4O2
Canonical SMILES:	C1=CC(=C(C(=C1)C(F)(F)F)F)CC(=O)O
InChI:	InChI=1S/C9H6F4O2/c10-8-5(4-7(14)15)2-1-3-6(8)9(11,12)13/h1-3H,4H2,(H,14,15)
InChI Key:	IZXLNEHPKQVCAE-UHFFFAOYSA-N
Boiling Point:	258.3±35.0°C at 760 mmHg
Melting Point:	113-116°C
Purity:	95%
Density:	1.436±0.06 g/cm3
Appearance:	White Crystalline Solid
Storage:	Store at RT
LogP:	2.47160

Publication Number	Title	Priority Date
CN-109053630-A	A kind of benzothiazole analog derivative and application thereof	20180822
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
AU-2010258566-A1	Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases	20090611

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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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Fluorinated Building Blocks

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[1597-32-6]
2-Amino-6-fluoropyridine
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole
[1169993-37-6]
5-Cyclopropyl-1-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole

Other Pyrimidines

[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[1489-53-8]
1,2,3-Trifluorobenzene
[45867-11-6]
2-Amino-5-chloro-4-pyrimidinecarboxylic acid
[113583-35-0]
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
[944580-98-7]
8-(Trifluoromethyl)imidazo[1,2-a]pyridine

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:	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