N,N-dimethylcarbamoyl chloride

• ChemBase ID: 107260
• Molecular Formular: C3H6ClNO
• Molecular Mass: 107.53884
• Monoisotopic Mass: 107.0137915
• SMILES: CN(C)C(=O)Cl
• Canonical SMILES: CN(C(=O)Cl)C
• InChI: InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3
• InChIKey: YIIMEMSDCNDGTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylcarbamoyl chloride
• IUPAC Traditional name: dimethylcarbamyl chloride
• Synonyms: DIMETHYLCARBAMYL CHLORIDE; Dimethylcarbamoyl chloride; Chloroformic acid dimethyl amide; Dimethylcarbamoyl chloride; Dimethylcarbamyl chloride; N,N-Dimethylcarbamoyl chloride; N,N-Dimethylchloroformamide; Dimethylcarbamic chloride; 氯甲酸二甲基酰胺; 二甲基氨基甲酰氯; 氯代甲酰基二甲胺; 二甲氨基甲酰氯

Database IDs

• CAS Number: 79-44-7
• EC Number: 201-208-6
• MDL Number: MFCD00000635
• Beilstein Number: 878197
• PubChem SID: 162093494; 24893469; 24864763
• PubChem CID: 6598

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.4237905
• LogD (pH = 7.4): 0.4237905
• Log P: 0.4237905
• Molar Refractivity: 24.9723 cm^3
• Polarizability: 9.427806 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -33 °C(lit.); -33°C; -33°C
• Boiling Point: 165°C; 167-168 °C/775 mmHg(lit.); 167-168°C
• Flash Point: 179.6 °F; 68°C(154°F); 82 °C
• Density: 1.168 g/ml; 1.168 g/mL at 25 °C(lit.); 1.171
• Refractive Index: 1.4530; n20/D 1.453(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: FD4200000
• European Hazard Symbols: Toxic (T)
• UN Number: 2262; UN2262
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 45-22-23-36/37/38; R:22-23-36/37/38-45
• Safety Statements: 53-45; S:45-53
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H319-H331-H335-H350; H331-H302-H315-H319-H335-H350-H227
• GHS Precautionary statements: P201-P261-P305 + P351 + P338-P311; P210-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2262 8/PG 2

Product Information

• Purity: ≥98.0% (AT); 95+%; 96%; 98%
• Grade: purum
• Linear Formula: (CH3)2NCOCl

DETAILS

MP Biomedicals - 05203088

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D152803

Packaging
5, 100, 500 g in glass bottle