4-(Trifluoromethylthio)benzoic acid
- Product Name4-(Trifluoromethylthio)benzoic acid
- CAS330-17-6
- CBNumberCB5195051
- MFC8H5F3O2S
- MW222.18
- EINECS625-833-2
- MDL NumberMFCD00040906
- MOL File330-17-6.mol
Chemical Properties
| Melting point: | 159.5-162.5 °C(lit.) |
| Boiling point: | 227.6±40.0 °C(Predicted) |
| Density | 1.50±0.1 g/cm3(Predicted) |
| storage temp. | Storage temp. 2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 3.76±0.10(Predicted) |
| color | White to Almost white |
| Sensitive | Stench |
| BRN | 2693449 |
| InChI | 1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey | UMOGQQWVQUQTQA-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc(SC(F)(F)F)cc1 |
| CAS DataBase Reference | 330-17-6(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P280a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Irritant/Stench | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2930909099 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications |
Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
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| NFPA 704: |
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