Endosulfan lactone - analytical standard , CAS No.3868-61-9

CAS: 3868-61-9 Cat. No.: E114685 Formula: C9H4Cl6O2 Molecular Weight: 356.84 EC Number: 621-026-4
AVAILABLE TO ORDER
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
DTXSID5052707 | 4,7-Methanoisobenzofuran-1(3H)-one, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro- | GIUKJJMBQBRFTN-UHFFFAOYSA-N | Endosulfan lactone, PESTANAL(R), analytical standard | Endosulfan lactone | 1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]
Storage
Room temperature
Shipped In
Normal
★
Size
Germany (EU)
USA*
Price
Qty
25mg
E114685-25mg
Made to order · 8–12 wks
€129.21
100mg
E114685-100mg
Made to order · 8–12 wks

€397.34

€463.29
Save €65.95 (14.23%)
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
DTXSID5052707 | 4,7-Methanoisobenzofuran-1(3H)-one, 4,5,6,7,8,8-hexachloro-3a,4,7,7a-tetrahydro- | GIUKJJMBQBRFTN-UHFFFAOYSA-N | Endosulfan lactone, PESTANAL(R), analytical standard | Endosulfan lactone | 1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesC1C2C(C(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
IUPAC Name1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-one
InChIKeyGIUKJJMBQBRFTN-UHFFFAOYSA-N
INCHI1S/C9H4Cl6O2/c10-4-5(11)8(13)3-2(1-17-6(3)16)7(4,12)9(8,14)15/h2-3H,1H2
Isomeric SMILES C1C2C(C(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
WGK Germany 3
RTECS PC1355000
UN Number 2811
Molecular Weight 356.84
Reaxy-Rn 1322148
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1322148&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassLactones
SubclassGamma butyrolactones
Intermediate Tree Nodes Not available
Direct ParentGamma butyrolactones
Alternative Parents Tetrahydrofurans  Carboxylic acid esters  Vinyl chlorides  Oxacyclic compounds  Monocarboxylic acids and derivatives  Chloroalkenes  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl chlorides  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Vinyl chloride - Vinyl halide - Haloalkene - Chloroalkene - Oxacycle - Organochloride - Organohalogen compound - Alkyl chloride - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Carbonyl group - Organic oxygen compound - Organic oxide - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySolubility in water: Insoluble (immiscible)
Melt Point(°C)264-265°C
Molecular Weight356.800 g/mol
XLogP32.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass355.831 Da
Monoisotopic Mass353.834 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count17
Formal Charge0
Complexity474.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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