Albendazole S-oxide
- Product NameAlbendazole S-oxide
- CAS54029-12-8
- CBNumberCB3319817
- MFC12H15N3O3S
- MW281.33
- EINECS628-805-8
- MDL NumberMFCD00797922
- MOL File54029-12-8.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 226-228°C dec. |
| Density | 1.40 |
| storage temp. | Sealed in dry,2-8°C |
| solubility | Chloroform (Slightly, Heated), Methanol (Slightly) |
| form | Solid |
| pka | pKa 3.28±0.01(H2O t=25.0±0.1 I=0.1(NaCl))(Approximate); 9.93±0.01(H2O t=25.0±0.1 I=0.1(NaCl))(Approximate) |
| color | colorless or white |
| Water Solubility | 62mg/L(25 ºC) |
| BRN | 677664 |
| Major Application | forensics and toxicology pharmaceutical (small molecule) |
| InChI | 1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16) |
| InChIKey | VXTGHWHFYNYFFV-UHFFFAOYSA-N |
| SMILES | CCCS(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1 |
| CAS DataBase Reference | 54029-12-8(CAS DataBase Reference) |
| FDA UNII | J39B52TV34 |
| UNSPSC Code | 41116107 |
| NACRES | NA.77 |
Safety
| Symbol(GHS) |
  
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| Signal word | Warning | |||||||||
| Hazard statements | H317-H361d-H373-H410 | |||||||||
| Precautionary statements | P201-P202-P273-P280-P302+P352-P308+P313 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22 | |||||||||
| Safety Statements | 24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | FD1080000 | |||||||||
| HS Code | 29339900 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Repr. 2 Skin Sens. 1 STOT RE 2 Oral | |||||||||
| NFPA 704: |
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