(+)-CIS-2-BENZAMIDOCYCLOHEXANECARBOXYLIC ACID
- Product Name(+)-CIS-2-BENZAMIDOCYCLOHEXANECARBOXYLIC ACID
- CAS26685-82-5
- CBNumberCB9771226
- MFC14H17NO3
- MW247.29
- MDL NumberMFCD00078300
- MOL File26685-82-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 205-209 °C(lit.) |
| Boiling point | 506.1±43.0 °C(Predicted) |
| Density | 1.21±0.1 g/cm3(Predicted) |
| refractive index | 36.5 ° (C=0.5, EtOH) |
| storage temp. | 2-8°C |
| form | solid |
| pka | 4.58±0.44(Predicted) |
| optical activity | [α]20/D +34°, c = 1% in chloroform |
| BRN | 4946668 |
| InChI | 1S/C14H17NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,16)(H,17,18)/t11-,12+/m0/s1 |
| InChIKey | PUANNVQABXUYKU-NWDGAFQWSA-N |
| SMILES | OC(=O)[C@H]1CCCC[C@H]1NC(=O)c2ccccc2 |
| CAS DataBase Reference | 26685-82-5(CAS DataBase Reference) |
| UNSPSC Code | 12352002 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 37/39-26 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29242998 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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