5162-82-3
| Name | 3-Chloro-4-methylbenzoic acid |
| CAS | 5162-82-3 |
| Molecular Formula | C8H7ClO2 |
| MDL Number | MFCD00045841 |
| Molecular Weight | 170.59 |
| MOL File | 5162-82-3.mol |
Chemical Properties
| Appearance | white to light yellow crystal powder |
| 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) |
| InChIKey | SDKUOEOJAXGCLU-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=C(C)C(Cl)=C1 |
| CAS DataBase Reference | 5162-82-3(CAS DataBase Reference) |
| NIST Chemistry Reference | P-toluic acid, 3-chloro-(5162-82-3) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| RTECS | XU1650000 |
| Hazard Note | Irritant |
| HazardClass | IRRITANT |
| HS Code | 2916399090 |