1,5-Bis(4-allyldimethyl-ammoniumphenyl)pentan-3-one dibromide
- Product Name1,5-Bis(4-allyldimethyl-ammoniumphenyl)pentan-3-one dibromide
- CAS402-40-4
- CBNumberCB5159835
- MFC27H38Br2N2O
- MW566.41
- MDL NumberMFCD00063485
- MOL File402-40-4.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 194-196°C |
| storage temp. | room temp |
| solubility | DMSO (Slightly, Sonicated), Methanol (Slightly), Water |
| form | Solid |
| color | Off-White to Brown |
| Water Solubility | water: 19.60-20.40mg/mL, clear, colorless |
| Stability | Stable |
| InChI | 1S/C27H38N2O.BrH/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2;/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3;1H |
| InChIKey | XBXRQUYORADPMX-UHFFFAOYSA-N |
| SMILES | Br.C[N](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N](C)(C)CC=C)cc1 |
| EPA Substance Registry System | 4,4'-(3-Oxo-1,5-pentanediyl)bis[N,N-dimethyl-N-2-propenylbenzenaminium] dibromide (402-40-4) |
| UNSPSC Code | 12352200 |
| NACRES | NA.77 |
Safety
| Symbol(GHS) |
|
| Signal word | Danger |
| Hazard statements | H300+H310+H330 |
| Precautionary statements | P260-P262-P264-P280-P302+P352+P310-P304+P340+P310 |
| Hazard Codes | T+,Xi |
| Risk Statements | 26/27/28 |
| Safety Statements | 28-36/37/39-45 |
| RIDADR | UN 2811 6.1/PG 1 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1(a) |
| PackingGroup | I |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Oral |
