3-(2H-Tetrazol-5-yl)-benzoic acid
- Product Name3-(2H-Tetrazol-5-yl)-benzoic acid
- CAS73096-39-6
- CBNumberCB3489877
- MFC8H6N4O2
- MW190.16
- MDL NumberMFCD06797250
- MOL File73096-39-6.mol
Chemical Properties
| Melting point: | 284-286°C |
| Boiling point: | 496.4±47.0 °C(Predicted) |
| Density | 1.518±0.06 g/cm3(Predicted) |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 3.56±0.10(Predicted) |
| color | White to Off-White |
| InChI | 1S/C8H6N4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12) |
| InChIKey | MIERACSHCALJOM-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cccc(c1)-c2nn[nH]n2 |
Safety
| Symbol(GHS) |
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| Signal word | Danger | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22 | |||||||||
| WGK Germany | WGK 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2933990099 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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