1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene

• ChemBase ID: 158165
• Molecular Formular: C14H8Cl4
• Molecular Mass: 318.02532
• Monoisotopic Mass: 315.93801098
• SMILES: c1ccc(c(c1)C(=C(Cl)Cl)c1ccc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(cc1)C(=C(Cl)Cl)c1ccccc1Cl
• InChI: InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H
• InChIKey: ZDYJWDIWLRZXDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
• IUPAC Traditional name: 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
• Synonyms: 2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethene solution; 2,4′-DDE solution; 3-邻氯苯基-2-对氯苯基-1,1-二氯乙烯 溶液; 2,4′-DDE 溶液

Database IDs

• CAS Number: 3424-82-6
• EC Number: 200-659-6
• MDL Number: MFCD00036122
• Beilstein Number: 1977640
• PubChem SID: 162252301
• PubChem CID: 246598

CALCULATED PROPERTIES

• Polarizability: 30.86335 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.105564
• LogD (pH = 7.4): 6.105564
• Log P: 6.105564
• Molar Refractivity: 99.3062 cm^3

PROPERTIES

Physical Property

• Flash Point: 11 °C; 51.8 °F

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 1230
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45
• GHS Pictograms: GHS02; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H331-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1230 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 100 ng/μL in methanol
• Grade: PESTANAL®, analytical standard

DETAILS

Sigma Aldrich - 36663

Legal Information
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