decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one

• ChemBase ID: 127976
• Molecular Formular: C10Cl10O
• Molecular Mass: 490.6364
• Monoisotopic Mass: 485.68344142
• SMILES: ClC12C(=O)C3(Cl)C4(Cl)C1(Cl)C1(Cl)C2(Cl)C3(Cl)C4(Cl)C1(Cl)Cl
• Canonical SMILES: O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl
• InChI: InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20
• InChIKey: LHHGDZSESBACKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: decachloropentacyclo[5.3.0.0^2,^6.0^3,^9.0^4,^8]decan-5-one
• IUPAC Traditional name: kepone
• Synonyms: Kepone; Perchloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one; Chlordecone; Chlordecone; Clordecone; Merex; CAS name: 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-1,3,4-metheno-2H-cyclobuta[cd]pentalen-2-one; Kepone; Kepone; 开蓬; 十氯酮; 十氯酮

Database IDs

• CAS Number: 143-50-0
• EC Number: 205-601-3
• MDL Number: MFCD00213544
• PubChem SID: 162222292; 24899279; 24872563; 24868854
• PubChem CID: 299
• CHEBI ID: 16548
• CHEMBL: 462576
• Chemspider ID: 293
• KEGG ID: C01792
• Unique Ingredient Identifier: RG5XJ88UDF
• Wikipedia Title: Kepone

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.354822
• LogD (pH = 7.4): 6.354822
• Log P: 6.354822
• Molar Refractivity: 83.1998 cm^3
• Polarizability: 34.985207 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 349 °C
• Flash Point: >100 °C; >212 °F
• Density: 1.6 g/cm^3

Safety Information

• RTECS: PC8575000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 24/25-40-50/53
• Safety Statements: 22-36/37-45-60-61
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H351-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P312-P501
• 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 2811 6.1/PG 3

Pharmacology Properties

• Gene Information: rat ... Ar(24208)

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 100 mg; ampule of 50 mg
• Empirical Formula (Hill Notation): C10Cl10O

DETAILS

Sigma Aldrich - 45379

Legal Information
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