2-[2-(bromomethyl)phenyl]thiophene

• ChemBase ID: 88983
• Molecular Formular: C11H9BrS
• Molecular Mass: 253.15816
• Monoisotopic Mass: 251.96083329
• SMILES: s1cccc1c1ccccc1CBr
• Canonical SMILES: BrCc1ccccc1c1cccs1
• InChI: InChI=1S/C11H9BrS/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-7H,8H2
• InChIKey: IJNVNLWIQXMBPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(bromomethyl)phenyl]thiophene
• IUPAC Traditional name: 2-[2-(bromomethyl)phenyl]thiophene
• Synonyms: 2-(Thien-2-yl)benzyl bromide; 1-(Bromomethyl)-2-(thien-2-yl)benzene; 2-[2-(Bromomethyl)phenyl]thiophene 95%; 2-[2-(bromomethyl)phenyl]thiophene

Database IDs

• CAS Number: 791078-04-1
• MDL Number: MFCD07368537
• PubChem SID: 162075869
• PubChem CID: 7060555

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1703568
• LogD (pH = 7.4): 4.1703568
• Log P: 4.1703568
• Molar Refractivity: 60.9345 cm^3
• Polarizability: 24.339916 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Lachrymatory

Product Information

• Purity: 95%