3-Chloro-4-methylbenzoic acid
- CAS NO.：5162-82-3
- Empirical Formula: C8H7ClO2
- Molecular Weight: 170.59
- MDL number: MFCD00045841
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-18 17:43:20
What is 3-Chloro-4-methylbenzoic acid?
Chemical properties
white to light yellow crystal powder
Properties of 3-Chloro-4-methylbenzoic acid
| Melting point: | 208 °C |
| Boiling point: | 105-107 °C(Press: 6.5 Torr) |
| Density | 1.310±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Sparingly), Methanol (Slightly) |
| form | Solid |
| pka | 4.00±0.10(Predicted) |
| color | White to Off-White |
| InChI | InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11) |
| CAS DataBase Reference | 5162-82-3(CAS DataBase Reference) |
| NIST Chemistry Reference | P-toluic acid, 3-chloro-(5162-82-3) |
Safety information for 3-Chloro-4-methylbenzoic 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-4-methylbenzoic acid
| InChIKey | SDKUOEOJAXGCLU-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(C)C(Cl)=C1 |
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product: 5162-82-3 3-Chloro-p-toluic acid 98%
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