1-bromo-3-chlorobenzene

• ChemBase ID: 77353
• Molecular Formular: C6H4BrCl
• Molecular Mass: 191.45296
• Monoisotopic Mass: 189.91848981
• SMILES: Brc1cc(ccc1)Cl
• Canonical SMILES: Clc1cccc(c1)Br
• InChI: InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H
• InChIKey: JRGGUPZKKTVKOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-chlorobenzene
• IUPAC Traditional name: M-bromochlorobenzene
• Synonyms: 1-Bromo-3-chlorobenzene; 3-Chlorobromobenzene; 1-Bromo-3-chlorobenzene; m-BROMOCHLOROBENZENE; 1-Bromo-3-chlorobenzene; 3-Bromochlorobenzene; 1-溴-3-氯苯

Database IDs

• CAS Number: 108-37-2
• EC Number: 203-575-8
• MDL Number: MFCD00000568
• Beilstein Number: 1446353
• PubChem SID: 24847592; 162042226
• PubChem CID: 7928

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.346043
• LogD (pH = 7.4): 3.346043
• Log P: 3.346043
• Molar Refractivity: 38.4856 cm^3
• Polarizability: 15.063697 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -22°C; -22°C
• Boiling Point: 195-196°C; 195-197°C; 196 °C(lit.)
• Flash Point: 176 °F; 80 °C; 80°C; 80°C(176°F)
• Density: 1.63; 1.63 g/mL at 25 °C(lit.); 1.630
• Refractive Index: 1.577; 1.5770; n20/D 1.576; n20/D 1.576(lit.)

Safety Information

• Storage Warning: Irritant/Light Sensitive
• RTECS: CY9005000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37-60; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC); 98%; 99%
• Grade: purum
• Linear Formula: BrC6H4Cl

DETAILS

MP Biomedicals - 05209276

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 124036

Packaging
25, 100 g in glass bottle