1,3-dibromo-2-chlorobenzene

• ChemBase ID: 52993
• Molecular Formular: C6H3Br2Cl
• Molecular Mass: 270.34902
• Monoisotopic Mass: 267.82900178
• SMILES: c1(cccc(c1Cl)Br)Br
• Canonical SMILES: Brc1cccc(c1Cl)Br
• InChI: InChI=1S/C6H3Br2Cl/c7-4-2-1-3-5(8)6(4)9/h1-3H
• InChIKey: IRPWVEBIMPXCAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dibromo-2-chlorobenzene
• IUPAC Traditional name: 1,3-dibromo-2-chlorobenzene
• Synonyms: 1,3-Dibromo-2-chlorobenzene

Database IDs

• CAS Number: 19230-27-4
• MDL Number: MFCD12922600
• PubChem SID: 162057756
• PubChem CID: 14029661

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1147957
• LogD (pH = 7.4): 4.1147957
• Log P: 4.1147957
• Molar Refractivity: 46.1084 cm^3
• Polarizability: 18.210604 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%