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2,3,4,5,7,7-Hexachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene

HCID 98121
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
6058-23-7
Standard SMILES
ClC1=C(Cl)C2(Cl)C3C4OC4CC3C1(Cl)C2(Cl)Cl
InChIKey
VMNNMBZKONGDDQ-UHFFFAOYSA-N
Molecular formula
C10H6Cl6O
Average molar mass
354.9 g/mol
Monoisotopic mass
351.854981

Overview

RN given refers to cpd without isomeric designation; structure

Names & identifiers

Preferred name
2,3,4,5,7,7-Hexachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene
IUPAC
1,8,9,10,11,11-hexachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene
English name
Chlordene epoxide)
Molecular formula
C10H6Cl6O
Molecular weight
354.87

Names & synonyms

Chlordene epoxide6058-23-7DTXSID108636832,3,4,5,7,7-Hexachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene2,3,4,5,7,7-Hexachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno[1,2-b]oxireneRefChem:908545DTXCID808122694,7-Methanoindan, 3a,4,7,7a-tetrahydro-1,2-epoxy-4,5,6,7,8,8-hexachloro-2,5-Methano-2H-indeno(1,2-b)oxirene, 2,3,4,5,7,7-hexachloro-1a,1b,5,5a,6,6a-hexahydro-OXY-CHLORDENE1,8,9,10,11,11-hexachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,7,7-hexachloro-1a,1b,5,5a,6,6a-hexahydro-
Show more names
Chlordene epoxide)oxy-Chlordene in CyclohexaneLA11232000CY oxy-ChlordenE10μg/mLin Cyclohexa
NSC 78900AI3-17713NCIOpen2_008826VMNNMBZKONGDDQ-UHFFFAOYSA-NNSC78900NSC-78900NS001260332,3,4,5,7,7-Hexachloro-1b,2,5,5a,6,6a-hexahydro-1aH-2,5-methanoindeno[1,2-b]oxirene

Database identifiers

CAS
6058-23-7
PubChem CID
98121
DTXSID
DTXSID10863683

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
12.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
17
Formal charge
0
Complexity
475

Physicochemical properties

Melting point
215 °C · 215°C
Boiling point
471.12 °C · 471.12°C (rough estimate)
Density
1.6621 · 1.6621 (rough estimate)
refractive index
1.555 · 1.5550 (estimate)
Water Solubility
1.359 mg/L · 1.359mg/L(26.70 ºC)
EPA Substance Registry System
2 · 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,7,7-hexachloro-1a,1b,5,5a,6,6a-hexahydro- (6058-23-7)
RIDADR
2761 · 2761
HazardClass
6.1 · 6.1(b)
PackingGroup
III

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

ridadr
2761
hazard_class
6.1(b)
packing_group
III

Chemistry & industry

Suppliers2 total

北京普天同创生物科技有限公司[email protected]
曼哈格(北京)生物科技有限公司[email protected]

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes