2,5-dichlorothiophene-3-carbonyl chloride

• ChemBase ID: 81225
• Molecular Formular: C5HCl3OS
• Molecular Mass: 215.48484
• Monoisotopic Mass: 213.88136869
• SMILES: s1c(c(cc1Cl)C(=O)Cl)Cl
• Canonical SMILES: Clc1sc(c(c1)C(=O)Cl)Cl
• InChI: InChI=1S/C5HCl3OS/c6-3-1-2(4(7)9)5(8)10-3/h1H
• InChIKey: YGDFSMANOSKQRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichlorothiophene-3-carbonyl chloride
• IUPAC Traditional name: 2,5-dichlorothiophene-3-carbonyl chloride
• Synonyms: 2,5-Dichlorothiophene-3-carbonyl chloride

Database IDs

• CAS Number: 57248-14-3
• MDL Number: MFCD00041441
• PubChem SID: 162068344
• PubChem CID: 2777084

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4846816
• LogD (pH = 7.4): 3.4846816
• Log P: 3.4846816
• Molar Refractivity: 42.2079 cm^3
• Polarizability: 16.92021 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 125-15mm°C

Safety Information

• Storage Warning: Corrosive/Keep Cold/Store under Nitrogen

Product Information

• Purity: 95%