3-Phenoxybenzoic acid
- Product Name3-Phenoxybenzoic acid
- CAS3739-38-6
- CBNumberCB0755977
- MFC13H10O3
- MW214.22
- EINECS223-121-2
- MDL NumberMFCD00002498
- MOL File3739-38-6.mol
Chemical Properties
| Melting point: | 147-149 °C (lit.) |
| Boiling point: | 314.35°C (rough estimate) |
| Density | 1.1956 (rough estimate) |
| refractive index | 1.5090 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 3.95(at 25℃) |
| form | Solid |
| color | White to Off-White |
| Water Solubility | It is soluble in water. |
| BRN | 2105574 |
| InChI | InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15) |
| InChIKey | NXTDJHZGHOFSQG-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(OC2=CC=CC=C2)=C1 |
| CAS DataBase Reference | 3739-38-6(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 3-phenoxy- (3739-38-6) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36-37/39 | |||||||||
| RIDADR | 3077 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DH6293500 | |||||||||
| HazardClass | 9 | |||||||||
| HS Code | 2918990090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Toxicity | mouse,LD50,intraperitoneal,350mg/kg (350mg/kg),Journal of Agricultural and Food Chemistry. Vol. 25, Pg. 9, 1977. | |||||||||
| Limited Quantities | 5.0 kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704: |
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