2-[4-(Bromomethyl)phenyl]thiophene

• CAS: 81443-46-1
• Catalog Number: ACM81443461
• Category: Bromine Series
• Molecular Weight: 253.16
• Molecular Formula: C₁₁H₉BrS
• Synonyms: 2-[4-(BROMOMETHYL)PHENYL]THIOPHENE;2-[4-(Bromomethyl)phenyl]thiophene 97%
• IUPAC Name: 2-[4-(bromomethyl)phenyl]thiophene
• Canonical SMILES: C1=CSC(=C1)C2=CC=C(C=C2)CBr
• InChI Key: ZHUUJVAVOVMLCK-UHFFFAOYSA-N
• Boiling Point: 330.5ºC at 760 mmHg
• Melting Point: 83-84.5ºC
• Flash Point: 153.7ºC
• Density: 1.457g/cm³
• Exact Mass: 251.96100
• H-Bond Acceptor: 1
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C11H9BrS.

What is the molecular weight of the compound?

The molecular weight is 253.16 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-[4-(bromomethyl)phenyl]thiophene.

What is the InChI of the compound?

The InChI is InChI=1S/C11H9BrS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H,8H2.

What is the InChIKey of the compound?

The InChIKey is ZHUUJVAVOVMLCK-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1=CSC(=C1)C2=CC=C(C=C2)CBr.

What is the CAS number of the compound?

The CAS number is 81443-46-1.

What is the European Community (EC) number of the compound?

The European Community (EC) number is 834-206-4.

What is the XLogP3 value of the compound?

The XLogP3 value is 4.3.

Is the compound canonicalized?

Yes, the compound is canonicalized.