2,6-dibromophenol

• ChemBase ID: 68236
• Molecular Formular: C6H4Br2O
• Molecular Mass: 251.90336
• Monoisotopic Mass: 249.86288875
• SMILES: c1(c(cccc1Br)Br)O
• Canonical SMILES: Brc1cccc(c1O)Br
• InChI: InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
• InChIKey: SSIZLKDLDKIHEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromophenol
• IUPAC Traditional name: 2,6-dibromophenol; 2,6-dibromo-phenol
• Synonyms: 2,6-Dibromophenol; 2,6-Dibromophenol; 2,6-二溴苯酚

Database IDs

• CAS Number: 608-33-3
• EC Number: 210-161-0
• MDL Number: MFCD00002152
• Beilstein Number: 2043614
• PubChem SID: 24855174; 24867799; 24860721; 162033968
• PubChem CID: 11847

CALCULATED PROPERTIES

• Acid pKa: 6.7895308
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1856122
• LogD (pH = 7.4): 2.514804
• Log P: 3.2071857
• Molar Refractivity: 43.2845 cm^3
• Polarizability: 16.916832 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53-56 °C; 53-56 °C(lit.); 53-57°C; 53-57°C; 55 - 56°C
• Boiling Point: 255-256 °C/740 mmHg(lit.); 255-256°C; 255-256°C
• Hydrophobicity(logP): 3.042

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Light Sensitive/Store under Argon
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22; 22-36/37/38
• Safety Statements: 26-36/37; 28-36/37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332; H302-H315-H319-H335
• GHS Precautionary statements: P280; P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Pharmacology Properties

• Gene Information: human ... ALOX12(239), ALOX15(246), GABRA1(2554)

Product Information

• Purity: ≥97.0% (HPLC); 95%; 95+%; 98%; 99%
• Grade: analytical standard; purum
• Packaging: ampule of 1000 mg
• Linear Formula: Br2C6H3OH

DETAILS

MP Biomedicals - 05201991

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 252018

Packaging
1, 10 g in glass bottle