HEMICHOLINIUM-3
- Product NameHEMICHOLINIUM-3
- CAS312-45-8
- CBNumberCB8497048
- MFC24H34N2O4.2Br
- MW574.351
- EINECS206-227-3
- MDL NumberMFCD00011978
- MOL File312-45-8.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 180°; mp 226- 228° (dec) |
| storage temp. | Store at -20°C |
| solubility | ethanol: 1.3 mg/mL |
| form | solid |
| color | white |
| Water Solubility | Water : 33.33 mg/mL (58.03 mM; Need ultrasonic) |
| Merck | 13,4660 |
| BRN | 5704458 |
| InChI | 1S/C24H34N2O4.2BrH/c1-25(2)13-15-29-23(27,17-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26(3,4)14-16-30-24;;/h5-12,27-28H,13-18H2,1-4H3;2*1H/q+2;;/p-2 |
| InChIKey | OPYKHUMNFAMIBL-UHFFFAOYSA-L |
| SMILES | [Br-].[Br-].C[N+]1(C)CCOC(O)(C1)c2ccc(cc2)-c3ccc(cc3)C4(O)C[N+](C)(C)CCO4 |
| FDA UNII | 65NY3I7ZD0 |
| EPA Substance Registry System | Morpholinium, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[2-hydroxy-4,4-dimethyl-, dibromide (312-45-8) |
| UNSPSC Code | 12352200 |
| NACRES | NA.77 |
Safety
| Symbol(GHS) |
|
| Signal word | Danger |
| Hazard statements | H301+H311+H331-H315-H319-H335 |
| Precautionary statements | P261-P280-P301+P310-P302+P352+P312-P304+P340+P311-P305+P351+P338 |
| Hazard Codes | T |
| Risk Statements | 23/24/25-36/37/38 |
| Safety Statements | 26-36/37/39-45 |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | QF2450000 |
| TSCA | TSCA listed |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity | LD50 i.p. in female mice: 0.048-0.082 mg/kg (DiAugustine, Haarstad) |
