4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone
- Product Name4-(N-Nitrosomethylamino)-1-(3-pyridyl)-1-butanone
- CAS64091-91-4
- CBNumberCB0775599
- MFC10H13N3O2
- MW207.23
- MDL NumberMFCD00274580
- MOL File64091-91-4.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 63-65°C |
| Boiling point | 346.25°C (rough estimate) |
| Density | 1.1933 (rough estimate) |
| refractive index | 1.4830 (estimate) |
| Flash point | 9℃ |
| storage temp. | Amber Vial, -20°C Freezer |
| solubility | DMF: 30 mg/ml, DMSO: 25 mg/ml, Ethanol: 25 mg/ml, |
| pka | 3.19±0.10(Predicted) |
| form | Solid |
| color | White to light yellow |
| BRN | 3548355 |
| Henry's Law Constant | 1.2×108 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| Major Application | cleaning products cosmetics food and beverages personal care |
| InChI | InChI=1S/C10H13N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8H,3,5,7H2,1H3 |
| InChIKey | FLAQQSHRLBFIEZ-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CN=C1)(=O)CCCN(C)N=O |
| CAS DataBase Reference | 64091-91-4 |
Safety
| Symbol(GHS) |
 
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| Signal word | Danger | |||||||||
| Hazard statements | H301-H317-H351 | |||||||||
| Precautionary statements | P201-P280-P301+P310+P330-P302+P352 | |||||||||
| Hazard Codes | Xn,T,F | |||||||||
| Risk Statements | 26/27/28-45-43-40-22-39/23/24/25-23/24/25-11 | |||||||||
| Safety Statements | 45-53-36/37-16 | |||||||||
| RIDADR | 2811 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | OB6465000 | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 38220090 | |||||||||
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects | |||||||||
| Hazard Classifications | Acute Tox. 3 Oral Carc. 2 Skin Sens. 1 | |||||||||
| Hazardous Substances Data | 64091-91-4(Hazardous Substances Data) | |||||||||
| Toxicity | LD50 intraperitoneal in mouse: 1gm/kg | |||||||||
| NFPA 704: |
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