3-(2,2,2-Trifluoroethoxy)benzoic acid - CAS 35480-48-9

Catalog:	BB046026
Product Name:	3-(2,2,2-Trifluoroethoxy)benzoic acid
CAS:	35480-48-9
Synonyms:	3-(2,2,2-trifluoroethoxy)benzoicacid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-(2,2,2-trifluoroethoxy)benzoic acid
Description:	3-(2,2,2-Trifluoroethoxy)benzoic acid (CAS# 35480-48-9 ) is a useful research chemical.
Molecular Weight:	220.14
Molecular Formula:	C9H7F3O3
Canonical SMILES:	C1=CC(=CC(=C1)OCC(F)(F)F)C(=O)O
InChI:	InChI=1S/C9H7F3O3/c10-9(11,12)5-15-7-3-1-2-6(4-7)8(13)14/h1-4H,5H2,(H,13,14)
InChI Key:	VWFMHRHEAZGJBM-UHFFFAOYSA-N
Boiling Point:	285.2±40.0 °C at 760 mmHg
Density:	1.4±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[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
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[452-76-6]
2,4-Difluorotoluene
[856848-33-4]
2-Amino-4,5-dibromopyridine
[2114-39-8]
2-Bromo-1-phenylpropane

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.03472857
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	220.03472857
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1