345784
2,4,6-Trifluorobenzoic acid
98%
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About This Item
Linear Formula:
F3C6H2CO2H
CAS Number:
Molecular Weight:
176.09
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
InChI
1S/C7H3F3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
SMILES string
OC(=O)c1c(F)cc(F)cc1F
InChI key
SJZATRRXUILGHH-UHFFFAOYSA-N
assay
98%
form
solid
mp
142-145 °C (lit.)
General description
2,4,6-Trifluorobenzoic acid is a fluorobenzoic acid. Crystal structure of 2,4,6-trifluorobenzoic acid has been studied.
Application
2,4,6-Trifluorobenzoic acid may be used in chemical synthesis.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Richard Betz et al.
Acta crystallographica. Section E, Structure reports online, 67(Pt 2), o539-o539 (2011-04-28)
In the title compound, C(7)H(3)F(3)O(2), the C-C-C angles in the ring are greater than 120° for F-bonded C atoms [123.69 (13), 123.88 (12) and 123.66 (12)°]. In the crystal, inter-molecular O-H⋯O hydrogen bonds between carboxyl groups give rise to the formation of a
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