5-Cyanophthalide
- Product Name5-Cyanophthalide
- CAS82104-74-3
- CBNumberCB0277200
- MFC9H5NO2
- MW159.14
- EINECS279-900-2
- MDL NumberMFCD01072882
- MOL File82104-74-3.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 201-205 °C(lit.) |
| Boiling point | 407.5±45.0 °C(Predicted) |
| Density | 1.36±0.1 g/cm3(Predicted) |
| vapor pressure | 0.012Pa at 25℃ |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| color | White to light yellow |
| InChI | InChI=1S/C9H5NO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3H,5H2 |
| InChIKey | XEEGWTLAFIZLSF-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=C(C#N)C=C2)CO1 |
| LogP | 0.136 at 30℃ and pH5.03 |
| Dissociation constant | 0-0 at 30℃ |
| CAS DataBase Reference | 82104-74-3(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H312-H332 | |||||||||
| Precautionary statements | P280 | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 20/21/22-36/37/38 | |||||||||
| Safety Statements | 36/37-36-26 | |||||||||
| RIDADR | 3439 | |||||||||
| WGK Germany | 3 | |||||||||
| HS Code | 29322090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral | |||||||||
| NFPA 704: |
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