2,2-Dibromo-2-cyanoacetamide
- Product Name2,2-Dibromo-2-cyanoacetamide
- CAS10222-01-2
- MFC3H2Br2N2O
- MW241.87
- EINECS233-539-7
- MOL File10222-01-2.mol
Chemical Properties
| Melting point | 122-125 °C(lit.) |
| Boiling point | 123-126 °C |
| Density | 2.3846 (rough estimate) |
| refractive index | 1.6220 (estimate) |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | DMSO (Sparingly), Methanol (Slightly) |
| Water Solubility | Slightly soluble in water |
| form | powder to crystal |
| pka | 11.72±0.50(Predicted) |
| color | White to Light yellow to Light orange |
| Odor | antiseptic odor |
| Henry's Law Constant | 5.2×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Stability | Stable, but may be moisture sensitive. Incompatible with strong oxidizing agents. |
| Cosmetics Ingredients Functions | ANTIMICROBIAL PRESERVATIVE |
| InChI | 1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8) |
| InChIKey | UUIVKBHZENILKB-UHFFFAOYSA-N |
| SMILES | NC(=O)C(Br)(Br)C#N |
| LogP | 0.820 |
Safety Information
| Hazard Codes | C,Xn |
| Risk Statements | 34-43-20/21/22 |
| Safety Statements | 26-36/37/39-45-36/37 |
| RIDADR | UN 1759 8/PG 3 |
| WGK Germany | 3 |
| RTECS | AB5956000 |
| TSCA | TSCA listed |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 2926909090 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Inhalation Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 Eye Dam. 1 Skin Irrit. 2 Skin Sens. 1 STOT RE 1 Inhalation |
| Hazardous Substances Data | 10222-01-2(Hazardous Substances Data) |
| Toxicity | LD50 oral in mammal (species unspecified): 118mg/kg |
