产品名称
2,3,6-三氟苯甲酸, 99%
InChI
1S/C7H3F3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
SMILES string
OC(=O)c1c(F)ccc(F)c1F
InChI key
MGUPHQGQNHDGNK-UHFFFAOYSA-N
assay
99%
mp
130-131 °C (lit.)
functional group
carboxylic acid
fluoro
Quality Level
General description
Raman and FTIR spectra of the 2,3,6-tri-fluorobenzoic acid was studied.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
V Mukherjee et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 77(4), 787-794 (2010-09-11)
Raman and FTIR spectra of the 2,3,6-tri-fluorobenzoic acid molecule have been recorded in the regions 50-4000cm⁻¹ and 400-4000cm⁻¹, respectively. Vibrational frequencies have been calculated by employing DFT method in dimeric form in optimum state. SQM force field has also been
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