Dimethylcarbamyl chloride
ALDRICH/D152803 - 98%
Synonym: Chloroformic acid dimethyl amide; Dimethylcarbamoyl chloride
CAS Number: 79-44-7
Empirical Formula (Hill Notation): C3H6ClNO
Molecular Weight: 107.54
EC Number: 201-208-6
MDL Number: MFCD00000635
Linear Formula: (CH3)2NCOCl
Product Type: Chemical
| assay | 98% |
| bp | 167-168 °C/775 mmHg (lit.) |
| density | 1.168 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C3H6ClNO/c1-5(2)3(4)6/ |
| InChI key | YIIMEMSDCNDGTB-UHFFFAOYSA |
| mp | −33 °C (lit.) |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | CN(C)C(Cl)=O |
| Application: | Dimethylcarbamyl chloride can be used to synthesize: • Disubstituted carbamates from benzylphenols. • 2-Cyanoisonicotinamide by reacting with isonicotinic acid N-oxide and zinc cyanide. This method was adopted to synthesize a novel xanthine oxidoreductase inhibitor. • Acetylcholinesterase (AChE) and serotonin transporter (SERT) dual inhibitors. |
| Packaging: | 5, 100, 500 g in glass bottle |
| Symbol |   GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H302 - H315 - H319 - H331 - H335 - H350 |
| Precautionary statements | P201 - P301 + P312 - P302 + P352 - P304 + P340 + P311 - P305 + P351 + P338 - P308 + P313 |
| Hazard Codes | T |
| Risk Statements | 45-22-23-36/37/38 |
| Safety Statements | 53-45 |
| RIDADR | UN 2262 8 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 179.6 °F - closed cup |
| Flash Point(C) | 82 °C - closed cup |
| Purity | 98% |
| bp | 167-168 °C/775 mmHg (lit.) |
| mp | −33 °C (lit.) |
| Density | 1.168 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |