1,3-dibromo-5-chlorobenzene

• ChemBase ID: 69529
• Molecular Formular: C6H3Br2Cl
• Molecular Mass: 270.34902
• Monoisotopic Mass: 267.82900178
• SMILES: c1(cc(cc(c1)Br)Br)Cl
• Canonical SMILES: Clc1cc(Br)cc(c1)Br
• InChI: InChI=1S/C6H3Br2Cl/c7-4-1-5(8)3-6(9)2-4/h1-3H
• InChIKey: FNKCOUREFBNNHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dibromo-5-chlorobenzene
• IUPAC Traditional name: 1,3-dibromo-5-chlorobenzene
• Synonyms: 1,3-Dibromo-5-chlorobenzene; 1-Chloro-3,5-dibromobenzene; 1-Chloro-3,5-dibromobenzene; 1,3-Dibromo-5-chlorobenzene; 3,5-Dibromochlorobenzene; 1-氯-3,5-二溴苯; 1,3-二溴-5-氯苯

Database IDs

• CAS Number: 14862-52-3
• MDL Number: MFCD00070765
• PubChem SID: 162035255; 24847886
• PubChem CID: 84676

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: 18.184967 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91-94 °C(lit.); 91-98°C; 95-98°C
• Boiling Point: 256°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 95+%; 97%; 98%
• Linear Formula: Br2C6H3Cl

DETAILS

Sigma Aldrich - 129127

Packaging
5 g in glass bottle