1,4-dichloro-2,5-dimethoxybenzene

• ChemBase ID: 89383
• Molecular Formular: C8H8Cl2O2
• Molecular Mass: 207.05392
• Monoisotopic Mass: 205.99013486
• SMILES: Clc1c(cc(c(c1)OC)Cl)OC
• Canonical SMILES: COc1cc(Cl)c(cc1Cl)OC
• InChI: InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
• InChIKey: PFIADAMVCJPXSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dichloro-2,5-dimethoxybenzene
• IUPAC Traditional name: chloroneb
• Synonyms: Chloroneb; 1,4-Dichloro-2,5-dimethoxybenzene; 2,5-Dichlorohydroquinone dimethyl ether; Chloroneb; 2,5-二氯对苯二甲醚; 地茂散

Database IDs

• CAS Number: 2675-77-6
• EC Number: 220-222-3
• MDL Number: MFCD00055445
• Beilstein Number: 1952749
• PubChem SID: 162076263
• PubChem CID: 17581

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8659925
• LogD (pH = 7.4): 2.8659925
• Log P: 2.8659925
• Molar Refractivity: 48.594 cm^3
• Polarizability: 19.219746 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >100 °C; >212 °F

Safety Information

• RTECS: CZ4750000
• European Hazard Symbols: Nature polluting (N)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 51/53
• Safety Statements: 61
• GHS Pictograms: GHS09
• GHS Hazard statements: H411
• GHS Precautionary statements: P273
• Personal Protective Equipment: Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C8H8Cl2O2

DETAILS

Sigma Aldrich - 36125

Legal Information
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