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5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid

5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid - CAS 17515-74-1

Catalog:	BB013089
Product Name:	5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid
CAS:	17515-74-1
Synonyms:	5-methyl-2-(trifluoromethyl)-3-furancarboxylic acid; 5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid
Description:	5-methyl-2-(trifluoromethyl)furan-3-carboxylic acid (CAS# 17515-74-1) is a useful research chemical.
Molecular Weight:	194.11
Molecular Formula:	C7H5F3O3
Canonical SMILES:	CC1=CC(=C(O1)C(F)(F)F)C(=O)O
InChI:	InChI=1S/C7H5F3O3/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H,11,12)
InChI Key:	NURNFMNHTHXTDS-UHFFFAOYSA-N
Boiling Point:	241.2 °C at 760 mmHg
Density:	1.442 g/cm³
Appearance:	Solid
LogP:	2.30500

Publication Number	Title	Priority Date
AU-2010353001-A1	Preservative for preserving wood and method for treating wood	20100512
AU-2010353001-B2	Preservative for preserving wood and method for treating wood	20100512
US-2013059014-A1	Preservative for preserving wood and method for treating wood	20100512
US-8785662-B2	Anilide-based compounds for preserving wood and method of use thereof	20100512
WO-2011142009-A1	Preservative for preserving wood and method for treating wood	20100512

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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
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0190785
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.0190785
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8