Name | 2-Chloro-N-methylacetamide |
Synonyms | OTAVA-BB BB7020410071 chloroacetylmethylamide N-Methylchloroacetamide 2-CHLORO-N-METHYLACETAMIDE N-Methyl-2-chloroacetamide 2-chloro-n-methyl-acetamid N-METHYL-2-CHLOROACETAMIDE 2-Chloro-N-methylacetamide Acetamide, 2-chloro-N-methyl- alpha-Chloro-N-methylacetamide |
CAS | 96-30-0 |
EINECS | 202-497-1 |
InChI | InChI=1/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6) |
Molecular Formula | C3H6ClNO |
Molar Mass | 107.54 |
Density | 1.127±0.06 g/cm3(Predicted) |
Melting Point | 38-40°C |
Boling Point | 112-115°C 20mm |
Flash Point | 110°C |
Solubility | DMSO (Slightly), Methanol (Slightly) |
Vapor Presure | 0.0138mmHg at 25°C |
Appearance | Solid |
Color | White to Off-White Low-Melting |
pKa | 14.38±0.46(Predicted) |
Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
Refractive Index | 1.425 |
MDL | MFCD00018913 |
Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R43 - May cause sensitization by skin contact R22 - Harmful if swallowed |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S36/37 - Wear suitable protective clothing and gloves. S24 - Avoid contact with skin. |
RTECS | AB5775000 |
HS Code | 29241990 |
Hazard Class | IRRITANT |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
Use | 2-chloro-n-methylacetamide, I .e., 2-chloroacetylamine, can be obtained by acylation of Chloroacetyl Chloride and methylamine. 2-chloro-n-methylacetamide can be used in the preparation of O,O-dimethyl-S-(N-methylcarbamoylmethyl) phosphorothioate and lumeperone. |
preparation | 11.5 (0.145mol) of Chloroacetyl Chloride was added dropwise to 0.58 (mass fraction) of 55 (40% mol) aqueous solution of methylamine and 50ml of water, keep the drop temperature at -20 °c, at -15 °c reaction for 5 hours, after the reaction is finished with dichloromethane extraction three times, dry with anhydrous calcium chloride, the drying agent is filtered off by Suction filtration, and the solvent is removed by rotary evaporation to obtain a colorless solid. The fraction of 84-90 ° C. (vacuum degree of 10mmHg) is 2-chloro-n-methylacetamide, which is collected by vacuum distillation, 13.86g of white crystals were obtained in 88.9% yield; Melting Point: 45-46 °c; 1H NMR (6.61 MHz,CDCl3)δ(ppm): 4.06 (br,1H), (s,2H),2.87(d,3H). |