2-ethoxyacetyl chloride

• ChemBase ID: 297311
• Molecular Formular: C4H7ClO2
• Molecular Mass: 122.55018
• Monoisotopic Mass: 122.01345714
• SMILES: CCOCC(=O)Cl
• Canonical SMILES: CCOCC(=O)Cl
• InChI: InChI=1S/C4H7ClO2/c1-2-7-3-4(5)6/h2-3H2,1H3
• InChIKey: ZPMWWAIBJJFPPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxyacetyl chloride
• IUPAC Traditional name: ethoxy-acetyl chloride
• Synonyms: 2-Ethoxyacetyl chloride; 2-乙氧基乙酰氯

Database IDs

• CAS Number: 14077-58-8
• EC Number: 237-930-3
• MDL Number: MFCD11170566
• PubChem SID: 180682842
• PubChem CID: 84189

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.49267036
• LogD (pH = 7.4): 0.49267036
• Log P: 0.49267036
• Molar Refractivity: 27.7042 cm^3
• Polarizability: 10.836112 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C); X
• UN Number: UN2920
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 10-20-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H314-H226-H332
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%, stab. with 0.3% Magnesium oxide