(1R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene

• ChemBase ID: 156816
• Molecular Formular: C10H6Cl8
• Molecular Mass: 409.77864
• Monoisotopic Mass: 405.79777163
• SMILES: C1C2C(C(C1Cl)Cl)[C@]1(C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl)Cl
• Canonical SMILES: ClC1CC2C(C1Cl)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl
• InChI: InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2?,3?,4?,5?,8-,9+/m0/s1
• InChIKey: BIWJNBZANLAXMG-YQELWRJZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0^2,^6]dec-8-ene
• IUPAC Traditional name: (1R,7S)-1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0^2,^6]dec-8-ene
• Synonyms: Chlordane; Chlordane (technical mixture); 氯丹; 氯丹（技术混合物）

Database IDs

• CAS Number: 12789-03-6
• MDL Number: MFCD00072502
• PubChem SID: 162250953; 24868853
• PubChem CID: 11954021

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2699943
• LogD (pH = 7.4): 5.2699943
• Log P: 5.2699943
• Molar Refractivity: 80.3794 cm^3
• Polarizability: 31.953968 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21/22-40-50/53
• Safety Statements: 36/37-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H312-H351-H410
• GHS Precautionary statements: P273-P280-P501
• RID/ADR: UN 2810 6.1/PG 3

Pharmacology Properties

• Gene Information: rat ... Ar(24208)

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C10H6Cl8

DETAILS

Sigma Aldrich - 45378

Legal Information
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