4-Cyano-3-fluorobenzoic acid
- Product Name4-Cyano-3-fluorobenzoic acid
- CAS176508-81-9
- CBNumberCB5208630
- MFC8H4FNO2
- MW165.12
- MDL NumberMFCD03094324
- MOL File176508-81-9.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 162.0 to 166.0 °C |
| Boiling point | 335.7±27.0 °C(Predicted) |
| Density | 1.42±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 3.20±0.10(Predicted) |
| color | White to Almost white |
| InChI | 1S/C8H4FNO2/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12) |
| InChIKey | ZWKNDLMYSLLMRF-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc(C#N)c(F)c1 |
| CAS DataBase Reference | 176508-81-9(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
 
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| Signal word | Danger | |||||||||
| Hazard statements | H302-H315-H318-H335 | |||||||||
| Precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 | |||||||||
| Hazard Codes | Xi,Xn | |||||||||
| Risk Statements | 20/21/22-41-37/38-22 | |||||||||
| Safety Statements | 22-36/37/39-39-26 | |||||||||
| RIDADR | 3439 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Irritant | |||||||||
| HS Code | 29269090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Irrit. 2 STOT SE 3 | |||||||||
| NFPA 704: |
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