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

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[17746-05-3]
Undecanoyl chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[111-85-3]
1-Chlorooctane

Oxygen Compounds

[544-62-7]
Batyl alcohol
[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[861434-97-1]
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline
[610-78-6]
4-Chloro-3-nitrophenol

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