1,4-dibromo-2-chlorobenzene

• ChemBase ID: 8719
• Molecular Formular: C6H3Br2Cl
• Molecular Mass: 270.34902
• Monoisotopic Mass: 267.82900178
• SMILES: c1(ccc(c(c1)Cl)Br)Br
• Canonical SMILES: Brc1ccc(c(c1)Cl)Br
• InChI: InChI=1S/C6H3Br2Cl/c7-4-1-2-5(8)6(9)3-4/h1-3H
• InChIKey: LOWQAATYMJIWOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2-chlorobenzene
• IUPAC Traditional name: 1,4-dibromo-2-chlorobenzene
• Synonyms: 2,5-Dibromochlorobenzene; 1,4-Dibromo-2-chlorobenzene; 1,4-Dibromo-2-chlorobenzene; 2-Chloro-1,4-dibromobenzene; 2-氯-1,4-二溴苯

Database IDs

• CAS Number: 3460-24-0
• MDL Number: MFCD00018094
• PubChem SID: 160972026
• PubChem CID: 2724603

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: 18.197952 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 39-41°C; 39-41°C
• Boiling Point: 115°C/20mm

Safety Information

• Storage Warning: IRRITANT, IRRITANT-HARMFUL
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%; 99%; 99+%