4-bromo-1,2-dichlorobenzene

• ChemBase ID: 6545
• Molecular Formular: C6H3BrCl2
• Molecular Mass: 225.89802
• Monoisotopic Mass: 223.87951746
• SMILES: Brc1ccc(c(c1)Cl)Cl
• Canonical SMILES: Brc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C6H3BrCl2/c7-4-1-2-5(8)6(9)3-4/h1-3H
• InChIKey: CFPZDVAZISWERM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1,2-dichlorobenzene
• IUPAC Traditional name: benzene, 4-bromo-1,2-dichloro-
• Synonyms: 1-Bromo-3,4-dichlorobenzene; 3,4-Dichlorobromobenzene; 1-Bromo-3,4-dichlorobenzene; 3,4-Dichlorobromobenzene; 4-bromo-1,2-dichlorobenzene; 4-Bromo-1,2-dichlorobenzene; 3,4-Dichlorobromobenzene 98+%; 4-Bromo-1,2-dichlorobenzene; 4-溴-1,2-二氯苯

Database IDs

• CAS Number: 18282-59-2
• EC Number: 242-160-6
• MDL Number: MFCD00040849
• Beilstein Number: 1635735
• PubChem SID: 160969852; 24865782
• PubChem CID: 29013

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: 17.0796 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 22-25°C; 22-25°C; 24-25 °C(lit.); 24-25°C
• Boiling Point: 124 °C/33 mmHg(lit.); 140-142°C/30mm; 140-142°C/30mm
• Flash Point: 188.6 °F; 87 °C; 87°C; 87°C(188°F)
• Density: 1.73; 1.761 g/mL at 25 °C(lit.); 1.781
• Refractive Index: 1.5989; n20/D 1.599(lit.)
• Hydrophobicity(logP): 4.311

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: 26-37; 26-37/39
• TSCA Listed: true; 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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 97%; 98%; 98+%; 99%
• Linear Formula: BrC6H3Cl2

DETAILS

MP Biomedicals - 05201300

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 412023

Packaging
5, 25 mL in glass bottle