1-bromo-3,5-dichlorobenzene

• ChemBase ID: 10436
• Molecular Formular: C6H3BrCl2
• Molecular Mass: 225.89802
• Monoisotopic Mass: 223.87951746
• SMILES: c1(cc(cc(c1)Br)Cl)Cl
• Canonical SMILES: Clc1cc(Cl)cc(c1)Br
• InChI: InChI=1S/C6H3BrCl2/c7-4-1-5(8)3-6(9)2-4/h1-3H
• InChIKey: DZHFFMWJXJBBRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3,5-dichlorobenzene
• IUPAC Traditional name: benzene, 1-bromo-3,5-dichloro-
• Synonyms: 1-Bromo-3,5-dichlorobenzene; 3,5-Dichlorobromobenzene; 3,5-Dichlorobromobenzene; 1-Bromo-3,5-dichlorobenzene; 1-溴-3,5-二氯苯

Database IDs

• CAS Number: 19752-55-7
• EC Number: 243-270-7
• MDL Number: MFCD00000584
• Beilstein Number: 1931524
• PubChem SID: 24856786; 160973743
• PubChem CID: 29766

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9500878
• LogD (pH = 7.4): 3.9500878
• Log P: 3.9500878
• Molar Refractivity: 43.2904 cm^3
• Polarizability: 17.056353 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73-75 °C(lit.); 73-77°C; 75 - 77°C; 75-77°C
• Boiling Point: 232 °C/757 mmHg(lit.); 232°C/757mm; 232°C
• Hydrophobicity(logP): 4.431

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: false; 是
• 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%; 97%; 98%
• Linear Formula: BrC6H3Cl2

DETAILS

Sigma Aldrich - 277789

Packaging
25, 100 g in glass bottle