2,6-dichlorophenol

• ChemBase ID: 73989
• Molecular Formular: C6H4Cl2O
• Molecular Mass: 163.00136
• Monoisotopic Mass: 161.96392011
• SMILES: Oc1c(cccc1Cl)Cl
• Canonical SMILES: Clc1cccc(c1O)Cl
• InChI: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
• InChIKey: HOLHYSJJBXSLMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichlorophenol
• IUPAC Traditional name: 2,6-dichlorophenol
• Synonyms: 2,6-Dichlorophenol; 2,6-Dichlorophenol 98%; 2,6-DICHLOROPHENOL; 2,6-二氯苯酚

Database IDs

• CAS Number: 87-65-0
• EC Number: 201-761-3
• MDL Number: MFCD00002176
• Beilstein Number: 1447806
• Merck Index: 143073
• PubChem SID: 24862119; 24894072; 162038908; 24867800
• PubChem CID: 6899
• CHEBI ID: 28457
• CHEMBL: 282597
• Chemspider ID: 6633
• KEGG ID: C07096
• Wikipedia Title: 2,6-Dichlorophenol

CALCULATED PROPERTIES

• Acid pKa: 6.475948
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8345037
• LogD (pH = 7.4): 1.9332069
• Log P: 2.87777
• Molar Refractivity: 37.6485 cm^3
• Polarizability: 14.772901 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64-66 °C; 64-66 °C(lit.); 64-68°C; 65-68°C; 68-69 °C; 68-69°C
• Boiling Point: 218-220 °C; 218-220 °C(lit.); 218-220°C; 218-220°C; 219-220 °C; 219-220°C
• Density: > 1.0 at 70 °C (water = 1)
• Vapor Pressure: 0.036 mm Hg at 25 °C, 1 mm Hg at 59.5 °C
• Vapor Density: approx 5.0 (air = 1)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Toxic/Corrosive/Store under Argon
• RTECS: SK8750000
• European Hazard Symbols: Corrosive (C); Nature polluting (N); X; Irritant (Xi); Harmful (Xn)
• UN Number: 2020; UN2020
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 21-34-51/53; 34; R:22-36; R:36-58
• Safety Statements: 26-27-36/37/39; 26-36/37/39-45-61; S:26-36/37/39; S:26-61
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H312-H303-H401-H411
• GHS Precautionary statements: P280-P273-P303+P361+P353-P305+P351+P338-P310; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2020 6.1/PG 3

Product Information

• Purity: 95+%; 97%; 99%
• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1000 mg
• Linear Formula: Cl2C6H3OH

DETAILS

MP Biomedicals - 02157649

Pheromone for Amblyomma americanum .

MP Biomedicals - 05205151

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D70201

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 31102

Legal Information
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