2-(4-Aminophenylthio)acetic acid
- Product Name2-(4-Aminophenylthio)acetic acid
- CAS104-18-7
- CBNumberCB9400201
- MFC8H9NO2S
- MW183.23
- EINECS203-182-1
- MDL NumberMFCD00025360
- MOL File104-18-7.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 197-203 °C |
| Boiling point | 405.3±25.0 °C(Predicted) |
| Density | 1.35±0.1 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| solubility | Soluble in methanol, acetone, toluene, n-octanol, acetonitrile, ethyl acetate, dichloromethane. |
| form | Solid |
| pka | 3.21±0.10(Predicted) |
| color | Off-White to Pale Beige |
| BRN | 2720454 |
| Major Application | peptide synthesis |
| InChI | 1S/C8H9NO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5,9H2,(H,10,11) |
| InChIKey | CTPIHHXCACYCIV-UHFFFAOYSA-N |
| SMILES | Nc1ccc(SCC(O)=O)cc1 |
| CAS DataBase Reference | 104-18-7(CAS DataBase Reference) |
| FDA UNII | 6ZV6XHL9WA |
| UNSPSC Code | 12352200 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
  
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| Signal word | Danger | |||||||||
| Hazard statements | H302-H315-H319-H335-H301-H334 | |||||||||
| Precautionary statements | P280a-P304+P340-P305+P351+P338-P405-P501a-P261-P301+P310-P342+P311 | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 22-43 | |||||||||
| Safety Statements | 36/37 | |||||||||
| RIDADR | UN 2811 6.1/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 10-23 | |||||||||
| Hazard Note | Irritant | |||||||||
| HS Code | 29309090 | |||||||||
| Storage Class | 6.1D - Non-combustible acute toxic Cat.3 toxic hazardous materials or hazardous materials causing chronic effects | |||||||||
| Hazard Classifications | Acute Tox. 3 Oral Resp. Sens. 1 | |||||||||
| NFPA 704: |
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