2-Chloro-5-nitrobenzoic acid
- Product Name2-Chloro-5-nitrobenzoic acid
- CAS2516-96-3
- CBNumberCB0320306
- MFC7H4ClNO4
- MW201.56
- EINECS219-739-7
- MDL NumberMFCD00007294
- MOL File2516-96-3.mol
Chemical Properties
| Melting point: | 165-168 °C (lit.) |
| Boiling point: | 356.5±27.0 °C(Predicted) |
| Density | 1.6 |
| refractive index | 1.6000 (estimate) |
| Flash point: | >100°C |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 3.6g/l |
| pka | pK1: 2.17 (25°C) |
| form | Crystalline Powder |
| color | Light yellow to beige-brown |
| BRN | 1877474 |
| Henry's Law Constant | 6.5×103 mol/(m3Pa) at 25℃, Abraham and Jr. (2019) |
| InChI | 1S/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11) |
| InChIKey | QUEKGYQTRJVEQC-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cc(ccc1Cl)[N+]([O-])=O |
| CAS DataBase Reference | 2516-96-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Chloro-5-nitrobenzoic acid(2516-96-3) |
| EPA Substance Registry System | Benzoic acid, 2-chloro-5-nitro- (2516-96-3) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H317-H319 | |||||||||
| Precautionary statements | P261-P264-P272-P280-P302+P352-P305+P351+P338 | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xn,N,Xi | |||||||||
| Risk Statements | 22-37/38-41-50-36/37/38 | |||||||||
| Safety Statements | 26-39-61-24/25-36 | |||||||||
| RIDADR | UN3077 9/PG 3 | |||||||||
| WGK Germany | 1 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29163900 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications |
Eye Irrit. 2 Skin Sens. 1 |
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| REACH Registrations | Active | |||||||||
| NFPA 704: |
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