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Key Documents

263516

Sigma-Aldrich

2,3-Difluorobenzoic acid

98%

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About This Item

Linear Formula:
F2C6H3CO2H
CAS Number:
Molecular Weight:
158.10
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

mp

163-165 °C (lit.)

SMILES string

OC(=O)c1cccc(F)c1F

InChI

1S/C7H4F2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)

InChI key

JLZVIWSFUPLSOR-UHFFFAOYSA-N

General description

2,3-Difluorobenzoic acid forms dimers that are stabilized by hydrogen bonds.

Application

2,3-Difluorobenzoic acid has been used as a tracer for determining the extent of recovery of materials injected into oil wells.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Aleksandra A Knapik et al.
Acta crystallographica. Section E, Structure reports online, 64(Pt 2), o466-o466 (2008-01-01)
2,3-Difluoro-benzoic acid, C(7)H(4)F(2)O(2), forms dimers that are stabilized by hydrogen bonds. The dimers are stacked and the stacks are held together by weak C-H⋯F and C-H⋯O inter-actions.

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