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About This Item
Linear Formula:
F2C6H3CO2H
CAS Number:
Molecular Weight:
158.10
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
98%
mp
188-190 °C (lit.)
functional group
carboxylic acid
SMILES string
OC(=O)c1ccc(F)cc1F
InChI
1S/C7H4F2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChI key
NJYBIFYEWYWYAN-UHFFFAOYSA-N
General description
Molecular conformation, vibrational and electronic transition analysis of 2,4-difluorobenzoic acid has been investigated by experimental techniques (FT-IR, FT-Raman and UV) and quantum chemical calculations.
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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In this study, the molecular conformation, vibrational and electronic transition analysis of 2,3-difluorobenzoic acid and 2,4-difluorobenzoic acid (C7H4F2O2) were presented using experimental techniques (FT-IR, FT-Raman and UV) and quantum chemical calculations. FT-IR and FT-Raman spectra in solid state were recorded
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