2-chloro-N,N-dimethylacetamide

• ChemBase ID: 152317
• Molecular Formular: C4H8ClNO
• Molecular Mass: 121.56542
• Monoisotopic Mass: 121.02944156
• SMILES: CN(C)C(=O)CCl
• Canonical SMILES: ClCC(=O)N(C)C
• InChI: InChI=1S/C4H8ClNO/c1-6(2)4(7)3-5/h3H2,1-2H3
• InChIKey: XBPPLECAZBTMMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N-dimethylacetamide
• IUPAC Traditional name: 2-chloro-N,N-dimethylacetamide
• Synonyms: N,N-Dimethylchloroacetamide; 2-Chloro-N,N-dimethylacetamide; 2-chloro-N,N-dimethylacetamide; N,N-二甲基氯乙酰胺; 2-氯-N,N-二甲基乙酰胺; 2-氯-N,N二甲基乙酰胺

Database IDs

• CAS Number: 2675-89-0
• EC Number: 220-224-4
• MDL Number: MFCD00039360
• Beilstein Number: 969568
• PubChem SID: 24854507; 162246462
• PubChem CID: 75886

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.045592386
• LogD (pH = 7.4): -0.045592386
• Log P: -0.045592386
• Molar Refractivity: 29.0125 cm^3
• Polarizability: 11.205992 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 98-100°C/11mm
• Flash Point: >110 °C; >230 °F
• Density: 1.182; 1.182 g/mL at 20 °C(lit.)
• Refractive Index: 1.4790; n20/D 1.479
• Hydrophobicity(logP): -0.189

Safety Information

• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-34; 36/37/38
• Safety Statements: 26-36/37/39-45; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 3

Product Information

• Purity: ≥97.0% (GC); 95%; 97%
• Linear Formula: ClCH2CON(CH3)2

DETAILS

Sigma Aldrich - 24350

Packaging
25 mL in glass bottle