D152803

Dimethylcarbamyl chloride

98%

• Synonym(s): Chloroformic acid dimethyl amide, Dimethylcarbamoyl chloride
• Linear Formula: (CH₃)₂NCOCl
• CAS Number: 79-44-7
• Molecular Weight: 107.54
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24893469
• EC Number: 201-208-6
• Beilstein/REAXYS Number: 878197
• MDL number: MFCD00000635
• Assay: 98%
• Form: liquid

Properties

• Quality Segment: 200
• assay: 98%
• form: liquid
• refractive index: n20/D 1.453 (lit.)
• bp: 167-168 °C/775 mmHg (lit.)
• mp: −33 °C (lit.)
• density: 1.168 g/mL at 25 °C (lit.)
• SMILES string: CN(C)C(Cl)=O
• InChI: 1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3
• InChI key: YIIMEMSDCNDGTB-UHFFFAOYSA-N

Description

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.

Safety Information

• pictograms: GHS06,GHS08
• signalword: Danger
• hcodes: H302,H315,H319,H331,H335,H350
• Hazard Classifications: Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Carc. 1B - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk: WGK 3
• flash_point_f: 179.6 °F - closed cup
• flash_point_c: 82 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
• pcodes: P202 - P301 + P312 - P302 + P352 - P304 + P340 + P311 - P305 + P351 + P338 - P308 + P313