2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile
- Product Name2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile
- CAS58632-95-4
- CBNumberCB8741235
- MFC13H14N2O3
- MW246.26
- EINECS261-370-9
- MDL NumberMFCD00001863
- MOL File58632-95-4.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 85-88 °C (lit.) |
| Boiling point | 389.26°C (rough estimate) |
| Density | 1.1855 (rough estimate) |
| refractive index | 1.6450 (estimate) |
| storage temp. | -20°C |
| solubility | Soluble in water or 1% acetic acid |
| form | Fine Crystalline Powder |
| color | White to slightly beige |
| Water Solubility | insoluble |
| Sensitive | Moisture Sensitive |
| BRN | 2217296 |
| Major Application | peptide synthesis |
| InChI | InChI=1S/C13H14N2O3/c1-13(2,3)17-12(16)18-15-11(9-14)10-7-5-4-6-8-10/h4-8H,1-3H3 |
| InChIKey | QQWYQAQQADNEIC-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)ON=C(C#N)C1=CC=CC=C1 |
| CAS DataBase Reference | 58632-95-4(CAS DataBase Reference) |
| FDA UNII | F039SLP7BB |
| EPA Substance Registry System | Benzeneacetonitrile, .alpha.-[[[(1,1-dimethylethoxy)carbonyl]oxy]imino]- (58632-95-4) |
Safety
| Symbol(GHS) |
 
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| Signal word | Danger | |||||||||
| Hazard statements | H301-H315-H319-H302-H312-H332-H335 | |||||||||
| Precautionary statements | P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501-P261-P304+P340-P305+P351+P338-P501a | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 36/37/38-20/21/22 | |||||||||
| Safety Statements | 22-24/25-36/37/39-26-36 | |||||||||
| RIDADR | 3276 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DA0513600 | |||||||||
| F | 10-21 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29280090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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