3,4-Difluorophenylacetic acid
- CAS NO.:658-93-5
- Empirical Formula: C8H6F2O2
- Molecular Weight: 172.13
- MDL number: MFCD00010002
- EINECS: 211-527-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-28 16:27:48
What is 3,4-Difluorophenylacetic acid?
Chemical properties
beige crystalline needles
General Description
The separation of five positional isomers from 3,4-difluorophenylacetic acid has been investigated using normal- and reversed-phase HPLC, capillary zone electrophoresis, gas chromatography and supercritical fluid chromatography.
Properties of 3,4-Difluorophenylacetic acid
Melting point: | 46-50 °C (lit.) |
Boiling point: | 219°C (rough estimate) |
Density | 1.3010 (estimate) |
Flash point: | >230 °F |
storage temp. | Sealed in dry,Room Temperature |
form | powder to crystaline |
pka | 4.06±0.10(Predicted) |
color | White to Almost white |
BRN | 2577768 |
CAS DataBase Reference | 658-93-5(CAS DataBase Reference) |
NIST Chemistry Reference | 3,4-Difluorophenylacetic acid(658-93-5) |
Safety information for 3,4-Difluorophenylacetic acid
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3,4-Difluorophenylacetic acid
InChIKey | YCAKYFIYUHHCKW-UHFFFAOYSA-N |
Related products of tetrahydrofuran
Methyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate
Sitagliptin
Benzenebutanoicacid,b-[[(1,1-diMethylethoxy)carbonyl]aMino]-2,4,5-trifluoro-,Methylester,(bR)-
(R)-methyl 3-acetamido-4-(2,4,5-trifluorophenyl)butanoate
2,4,5-TRIFLUOROBENZYL CHLORIDE
Sitagliptin Impurity 34
2-CHLOROMETHYL-5-TRIFLUOROMETHYL-[1,3,4]OXADIAZOLE
ethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate
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