3-Chloro-2-fluorobenzoic acid
- CAS NO.：161957-55-7
- Empirical Formula: C7H4ClFO2
- Molecular Weight: 174.56
- MDL number: MFCD00042506
- EINECS: 630-303-9
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-04-03 15:02:24
What is 3-Chloro-2-fluorobenzoic acid?
Chemical properties
white to light yellow crystal powder
Synthesis Reference(s)
Tetrahedron Letters, 36, p. 881, 1995 DOI: 10.1016/0040-4039(94)02385-O
Properties of 3-Chloro-2-fluorobenzoic acid
| Melting point: | 177-180 °C (lit.) |
| Boiling point: | 278.9±20.0 °C(Predicted) |
| Density | 1.477±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 2.90±0.10(Predicted) |
| color | White to Light yellow to Light red |
| BRN | 7127637 |
| InChI | InChI=1S/C7H4ClFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11) |
| CAS DataBase Reference | 161957-55-7(CAS DataBase Reference) |
Safety information for 3-Chloro-2-fluorobenzoic 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 3-Chloro-2-fluorobenzoic acid
| InChIKey | FCSSYEWURMTUSM-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(Cl)=C1F |
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product: 3-chloro-2-fluorobenzoic acid
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