2,4-Bis(trifluoromethyl)phenylacetic Acid - CAS 177952-39-5

Catalog:	BB013359
Product Name:	2,4-Bis(trifluoromethyl)phenylacetic Acid
CAS:	177952-39-5
Synonyms:	2-[2,4-bis(trifluoromethyl)phenyl]acetic acid; 2-[2,4-bis(trifluoromethyl)phenyl]acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-[2,4-bis(trifluoromethyl)phenyl]acetic acid
Description:	2,4-Bis(trifluoromethyl)phenylacetic Acid (CAS# 177952-39-5) is a useful research chemical.
Molecular Weight:	272.14
Molecular Formula:	C10H6F6O2
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CC(=O)O
InChI:	InChI=1S/C10H6F6O2/c11-9(12,13)6-2-1-5(3-8(17)18)7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)
InChI Key:	BCHGLBXVODTIEE-UHFFFAOYSA-N
Boiling Point:	235.1 °C at 760 mmHg
Density:	1.479 g/cm³
MDL:	MFCD00042492
LogP:	3.35130

Publication Number	Title	Priority Date
WO-2020203609-A1	Use of t-type calcium channel blocker for treating pruritus	20190329
WO-2020203610-A1	Use of t-type calcium channel blocker for treating rheumatoid arthritis	20190329
KR-20200022710-A	Novel pyrrolidine or piperidine derivatives having activity for T-type calcium channel	20180823
KR-102183666-B1	Novel pyrrolidine or piperidine derivatives having activity for T-type calcium channel	20180823
WO-2020017569-A1	T-type calcium channel blocker	20180717

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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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:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.02719840
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	272.02719840
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2