2,4-dibromophenol

• ChemBase ID: 21811
• Molecular Formular: C6H4Br2O
• Molecular Mass: 251.90336
• Monoisotopic Mass: 249.86288875
• SMILES: c1(cc(ccc1O)Br)Br
• Canonical SMILES: Brc1ccc(c(c1)Br)O
• InChI: InChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
• InChIKey: FAXWFCTVSHEODL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromophenol
• IUPAC Traditional name: 2,4-dibromophenol
• Synonyms: 2,4-Dibromophenol; 2,4-Dibromophenol; 2,4-Dibromophenol 95%; 2.4-二溴苯酚; 2,4-二溴苯酚

Database IDs

• CAS Number: 615-58-7
• EC Number: 210-436-5
• MDL Number: MFCD00002149
• Beilstein Number: 1861291
• PubChem SID: 160985118; 24867793; 24855633
• PubChem CID: 12005

CALCULATED PROPERTIES

• Acid pKa: 7.708298
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.204524
• LogD (pH = 7.4): 3.0349545
• Log P: 3.2071857
• Molar Refractivity: 43.2845 cm^3
• Polarizability: 16.91027 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35-38 °C(lit.); 35-38°C; 35-39°C; 40°C
• Boiling Point: 154 °C/11 mmHg(lit.); 154°C; 239°C; 239°C
• Flash Point: >110°C; >110°C(230°F); 113 °C; 235.4 °F

Safety Information

• Storage Warning: IRRITANT; Toxic/Irritant/Light Sensitive
• RTECS: SK8010000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 25-36/37/38; 25-36/37/38-52/53; R:25-27
• Safety Statements: 26-36/37/39-45; 26-36/37-45-61; S:28-29-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H315-H319-H335; H300-H315-H319-H335-H402-H412
• GHS Precautionary statements: P261-P264-P301 + P310-P305 + P351 + P338; P280H-P273-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Pharmacology Properties

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

Product Information

• Purity: 95%; 98%
• Grade: analytical standard
• Packaging: ampule of 1000 mg
• Linear Formula: Br2C6H3OH

DETAILS

MP Biomedicals - 05209975

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 258164

Packaging
5, 100 g in glass bottle