4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid - CAS 10009-25-3

Catalog:	BB000072
Product Name:	4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid
CAS:	10009-25-3
Synonyms:	4-(1,1,2,2-tetrafluoroethoxy)benzoic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-(1,1,2,2-tetrafluoroethoxy)benzoic acid
Description:	4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid (CAS# 10009-25-3) is a useful research chemical.
Molecular Weight:	238.14
Molecular Formula:	C9H6F4O3
Canonical SMILES:	C1=CC(=CC=C1C(=O)O)OC(C(F)F)(F)F
InChI:	InChI=1S/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-5(2-4-6)7(14)15/h1-4,8H,(H,14,15)
InChI Key:	SVGWTILJZWYEMD-UHFFFAOYSA-N
Boiling Point:	275.3 °C at 760 mmHg
Melting Point:	175-179 °C
Purity:	95 %
Density:	1.446 g/cm³
Appearance:	Solid
MDL:	MFCD00155926
LogP:	2.62150

Publication Number	Title	Priority Date
CA-2887887-A1	Pyrazolopyridine derivatives as ttx-s blockers	20121031
EP-2914597-A1	Pyrazolopyridine derivatives as ttx-s blockers	20121031
EP-2914597-B1	Pyrazolopyridine derivatives as ttx-s blockers	20121031
ES-2661585-T3	Pyrazolopyridine derivatives as TTX-S blockers	20121031
RU-2652117-C2	Pyrazolopyridine derivatives as ttx-s blockers	20121031

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[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)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H314 (33.33%): 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:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.02530670
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	238.02530670
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3