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About This Item
Linear Formula:
F3C6H2CO2H
CAS Number:
Molecular Weight:
176.09
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
99%
mp
130-131 °C (lit.)
functional group
carboxylic acid
SMILES string
OC(=O)c1c(F)ccc(F)c1F
InChI
1S/C7H3F3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
InChI key
MGUPHQGQNHDGNK-UHFFFAOYSA-N
General description
Raman and FTIR spectra of the 2,3,6-tri-fluorobenzoic acid was studied.
Signal Word
Warning
Hazard Statements
Precautionary 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)
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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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