1,2,3,4,5-pentachloro-5-(pentachlorocyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene

• ChemBase ID: 158449
• Molecular Formular: C10Cl10
• Molecular Mass: 474.637
• Monoisotopic Mass: 469.6885268
• SMILES: C1(=C(C(C(=C1Cl)Cl)(C1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
• Canonical SMILES: ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl
• InChI: InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18
• InChIKey: LWLJUMBEZJHXHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4,5-pentachloro-5-(pentachlorocyclopenta-2,4-dien-1-yl)cyclopenta-1,3-diene
• IUPAC Traditional name: dienochlor
• Synonyms: Dienochlor; 除螨灵

Database IDs

• CAS Number: 2227-17-0
• EC Number: 218-763-5
• MDL Number: MFCD00019272
• Beilstein Number: 2064747
• PubChem SID: 24868915; 162252585
• PubChem CID: 16686

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.127494
• LogD (pH = 7.4): 5.127494
• Log P: 5.127494
• Molar Refractivity: 94.8412 cm^3
• Polarizability: 35.84984 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: DT8225000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 22-24
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319-H400
• GHS Precautionary statements: P273-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C10Cl10

DETAILS

Sigma Aldrich - 45443

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH