2-iodoacetyl chloride

• ChemBase ID: 301962
• Molecular Formular: C2H2ClIO
• Molecular Mass: 204.39415
• Monoisotopic Mass: 203.88389036
• SMILES: C(C(=O)Cl)I
• Canonical SMILES: ClC(=O)CI
• InChI: InChI=1S/C2H2ClIO/c3-2(5)1-4/h1H2
• InChIKey: BSVMPWANOMFSPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodoacetyl chloride
• IUPAC Traditional name: 2-iodoacetyl chloride
• Synonyms: Iodoacetyl chloride; 氯化碘乙酸

Database IDs

• CAS Number: 38020-81-4
• EC Number: 253-748-7
• MDL Number: MFCD00013718
• Beilstein Number: 1739078

CALCULATED PROPERTIES

• Acid pKa: 17.54197
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2555448
• LogD (pH = 7.4): 1.2555448
• Log P: 1.2555448
• Molar Refractivity: 29.586 cm^3
• Polarizability: 11.900682 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 48-50°C/12mm
• Density: 2.280

Safety Information

• Storage Warning: Moisture & Light Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%