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524824

Sigma-Aldrich

2,4,5-Trifluoro-3-methoxybenzoic acid

95%

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About This Item

Linear Formula:
HC6F3(OCH3)CO2H
CAS Number:
112811-65-1
Molecular Weight:
206.12
MDL number:
MFCD00153201
UNSPSC Code:
12352100
PubChem Substance ID:
24874446
NACRES:
NA.22

Assay

95%

mp

105-112 °C (lit.)

SMILES string

COc1c(F)c(F)cc(C(O)=O)c1F

InChI

1S/C8H5F3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13)

InChI key

YVJHZWWMKFQKDC-UHFFFAOYSA-N

General description

2,4,5-Trifluoro-3-methoxybenzoic acid readily forms organotin(IV) complexes.

Application

2,4,5-Trifluoro-3-methoxybenzoic acid may be used as a precursor for the preparation of quinolone derivatives. It may also be used to synthesize 1-(carboxymethyl)-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and triaqua (1,10-phenanthroline-κ2N, N′)(2, 4, 5-trifluoro-3-methoxybenzoato-κO1) cobalt (II) 2, 4, 5-trifluoro-3-methoxybenzoate.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
08528TI
31802KI
S06251

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One-pot synthesis and antimicrobial activity of novel quinolone heterocyclic derivatives.
Zheng H, et al.
Journal of Heterocyclic Chemistry, 47(6), 1411-1414 (2010)
Syntheses and crystal structures of di-and triorganotin (IV) derivatives with 2, 4, 5-trifluoro-3-methoxybenzoic acid.
Ma CL, et al.
Polyhedron, 25(17), 3405-3412 (2006)
Crystal structure of triaqua (1, 10-phenanthroline-?2N, N')(2, 4, 5-trifluoro-3-methoxybenzoato-?O1) cobalt (II) 2, 4, 5-trifluoro-3-methoxybenzoate.
Sun J.
Acta Crystallographica Section E, Structure Reports Online, 70(11), m367-m368 (2014)

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