2-Bromothiophene

• Catalog Number: ACM1003094
• Product Name: 2-Bromothiophene
• CAS: 1003-09-4
• Category: Thiophenes
• Synonyms: 2-BROMO THIOPHENE; 2-Thienyl bromide
• IUPAC Name: 2-bromothiophene
• Molecular Weight: 163.04g/mol
• Molecular Formula: C4H3BrS
• Canonical SMILES: C1=CSC(=C1)Br
• InChI: InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3H
• InChI Key: TUCRZHGAIRVWTI-UHFFFAOYSA-N
• Boiling Point: 150.0 °C
• Melting Point: -10 °C(lit.)
• Flash Point: 47.1°C
• Density: 1.714 g/cm³ at 25 °C(lit.)
• Complexity: 46.8
• Covalently-Bonded Unit Count: 1
• EC Number: 213-699-4
• Exact Mass: 161.91388g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 6
• LogP: 2.75 (LogP)
• Monoisotopic Mass: 161.91388g/mol
• NSC Number: 4456
• Rotatable Bond Count: 0
• Vapor Pressure: 23.40 mmHg
• XLogP3: 2.8