(1S,2S)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol
- Product Name(1S,2S)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol
- CAS2964-48-9
- CBNumberCB5853447
- MFC9H12N2O4
- MW212.2
- EINECS221-001-4
- MDL NumberMFCD00007359
- MOL File2964-48-9.mol
Chemical Properties
| Melting point: | 163-166 °C(lit.) |
| Boiling point: | 352.03°C (rough estimate) |
| alpha | 31 º (C=1 IN 6 M HCL) |
| Density | 1.3136 (rough estimate) |
| refractive index | 1.5373 (estimate) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | soluble in DMSO, Methanol |
| form | Crystalline Powder |
| pka | 10.98±0.45(Predicted) |
| color | Yellow to beige |
| optical activity | [α]23/D +31°, c = 1 in 6 M HCl |
| InChI | InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m0/s1 |
| InChIKey | OCYJXSUPZMNXEN-IUCAKERBSA-N |
| SMILES | [C@@H](C1=CC=C([N+]([O-])=O)C=C1)(O)[C@@H](N)CO |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 | |||||||||
| Safety Statements | 22-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2922199090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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