2-bromo-3-chlorothiophene

• ChemBase ID: 76935
• Molecular Formular: C4H2BrClS
• Molecular Mass: 197.48068
• Monoisotopic Mass: 195.87491074
• SMILES: s1ccc(c1Br)Cl
• Canonical SMILES: Clc1ccsc1Br
• InChI: InChI=1S/C4H2BrClS/c5-4-3(6)1-2-7-4/h1-2H
• InChIKey: MHRHSJIWGVBMLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-chlorothiophene
• IUPAC Traditional name: 2-bromo-3-chlorothiophene
• Synonyms: 2-Bromo-3-chlorothiophene

Database IDs

• CAS Number: 77893-68-6
• MDL Number: MFCD00043882
• PubChem SID: 162041834
• PubChem CID: 2724561

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.292481
• LogD (pH = 7.4): 3.292481
• Log P: 3.292481
• Molar Refractivity: 34.7513 cm^3
• Polarizability: 13.997571 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 73-75°C/12mm

Safety Information

• Storage Warning: Irritant/Light Sensitive/Keep Cold