1-Cyanocyclohexaneacetic acid
- Product Name1-Cyanocyclohexaneacetic acid
- CAS133481-09-1
- CBNumberCB8501381
- MFC9H13NO2
- MW167.21
- MDL NumberMFCD04117948
- MOL File133481-09-1.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 98-100°C |
| Boiling point | 356.6±15.0 °C(Predicted) |
| Density | 1.13±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | powder |
| pka | 4.72±0.10(Predicted) |
| BRN | 11150802 |
| Major Application | pharmaceutical |
| InChI | 1S/C9H13NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-6H2,(H,11,12) |
| InChIKey | YGFXLCAKCKPSQQ-UHFFFAOYSA-N |
| SMILES | OC(=O)CC1(CCCCC1)C#N |
| FDA UNII | E1393FZ76L |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302-H412 |
| Precautionary statements | P301+P312+P330 |
| Hazard Codes | Xi |
| Risk Statements | 22 |
| WGK Germany | WGK 3 |
| HS Code | 2926900005 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 3 |
