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Heptachlor epoxide chemical structure, C10H5Cl7O, CAS 1024-57-3
2D chemical structure

Key facts

What buyers check first

Melting point
160 to 161.5
Solubility
0.350 PPM IN WATER
HS code
291090
Category
Insecticides and acaricides
UN number
UN 2761

What is Heptachlor epoxide?

Plain description, key identifiers and synonyms

Heptachlor epoxide appears as a degradation product of heptachlor that occurs in soil and in or on crops when treatments with heptachlor, an insecticide, have been made. Forms readily upon exposing heptachlor to air.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,3S,5S,6R,7S,8R)-1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene
CAS number
1024-57-3 CAS number cross-checked
EC number
213-831-0
Molecular formula
C10H5Cl7O
UNII
055UWF6R6I
InChIKey
ZXFXBSWRVIQKOD-UOFFAGTMSA-N
InChI
InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4-,5+,8+,9-/m0/s1
Canonical SMILES
ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl
Isomeric SMILES
[C@@H]12[C@@H]([C@H]([C@@H]3[C@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl

Synonyms

  • Epoxyheptachlor
  • Velsicol 53-CS-17
  • ENT 25,584
  • 1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-2,3,3a,4,7,7a-hexahydro-4,7-methanoindene
  • 1,4,5,6,7,8,8-Heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-methanoindan
  • 2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachlor-1a,1b,5,5a,6,6a-hexahydro-
  • 2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-
  • 4,7-Methanoindan, 1,4,5,6,7,8,8-heptachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-
  • 2,5-Methano-2H-indeno(1,2-b)oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aalpha,1bbeta,2alpha,5alpha,5abeta,6beta,6aalpha)-
  • 2,5-Methano-2H-indeno(1,2-b)oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-,(1aR,1bS,2R,5S,5aR,6S,6aR)-rel-
  • Epoxide, Heptachlor
  • Velsicol 53CS17
  • 1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo(6.2.1.02,7.03,5)undec-9-ene
  • cis-Heptachlor Epoxide
  • rel-(1aR,1bS,2R,5S,5aR,6S,6aR)-2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno[1,2-b]oxirene
  • (+/-)-cis-Heptachlor epoxide
  • cis-Heptachlor-exo-epoxide (isomer B)
  • ENT 25584
  • (+/-)-cis-Hepta chlor epoxide
  • 2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno(1,2-b)oxirene
  • (1aR,1bS,2R,5S,5aR,6S,6aR)-rel-2,3,4,5,6,7,7-Heptachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2H-indeno[1,2-b]oxirene
  • cis-Heptachlor-exo-epoxide (isomer B) 10 microg/mL in Cyclohexane
  • cis-Heptachlor-exo-epoxide (Isomer B) 100 microg/mL in Cyclohexane
  • cis-Heptachlor-exo-epoxide (Isomer B) 100 microg/mL in Methanol
  • cis-Heptachlor-exo-epoxide (isomer B) 1000 microg/mL in Toluene
Show all 29 synonyms
  • (1aS,1bR,2S,5R,5aS,6R,6aS)-2,3,4,5,6,7,7-Heptachloro-1b,2,5,5a,6,6a-hexahydro-1aH-2,5-methanoindeno[1,2-b]oxirene
  • 2,5-Methano-2H-indeno(1,2-b)oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1ar,1bs,2R,5S,5ar,6S,6ar)-rel-
  • 2,5-Methano-2H-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aR,1bS,2R,5S,5aR,6S,6aR)-rel?
  • 2,5-Methano-2H-oxireno(a)indene, 2,3,4,5,6,7,7-heptachloro- 1a,1b,5,5a,6,6a-hexahydro-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Melting point
160 to 161.5exp.
Solubility
0.350 PPM IN WATERexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
389.32 g/molcalc.
Exact mass
385.816 Dacalc.
LogP (octanol/water)
4.45calc.
Topological polar surface area
12.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
18calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1=CC2CC1C1CC3OC3C21

C1=CC2CC1C1CC3OC3C21

4 rings, 11 atoms, the 1b,2,5,5a,6,6a-Hexahydro-1ah-2,5-methanoindeno[1,2-b]oxirene ring system.

13 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H301Toxic if swallowed.
  • H351Suspected of causing cancer.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (14)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P391Collect spillage.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 2761

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Heptachlor epoxide suppliers

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All 2 suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Heptachlor epoxide price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Not avail as commercial product in USA, & it is not normally present in commercial heptachlor ...

Use classes: Metabolite-heptachlors.

Pharmacological actions

  • Insecticides

How it is made

Heptachlor is oxidized by chromic trioxide in acetic acid to give heptachlor epoxide. ...

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 602-063-00-5

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Heptachlor-epoxide, Ref no: 994, Annex ref: II/994

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Heptachlor epoxide is traded under.

HS 2910.90Indicative HS code

Epoxides with a three-membered ring and their halogenated, sulphonated, nitrated or nitrosated derivatives…

World exports in 2024
$467M
−2.9% vs 2023, imports $501M
2019 to 2024
Top exporters
  1. Netherlands24.5%
  2. China19.7%
  3. Japan18.8%
Top importers
  1. United States17.6%
  2. Germany16.3%
  3. China10.8%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Heptachlor epoxide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Heptachlor epoxide, based on the data on this page

What is Heptachlor epoxide?

Heptachlor epoxide appears as a degradation product of heptachlor that occurs in soil and in or on crops when treatments with heptachlor, an insecticide, have been made. Forms readily upon exposing heptachlor to air.

What is the CAS number of Heptachlor epoxide?

The CAS registry number of Heptachlor epoxide is 1024-57-3.

What is the molecular formula and weight of Heptachlor epoxide?

The molecular formula of Heptachlor epoxide is C10H5Cl7O and its molar mass is 389.32 g/mol.

What is Heptachlor epoxide used for?

Not avail as commercial product in USA, & it is not normally present in commercial heptachlor ... Use classes: Metabolite-heptachlors.

Is Heptachlor epoxide hazardous?

Heptachlor epoxide carries the GHS signal word "Danger". Main hazards: toxic if swallowed, suspected of causing cancer, may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Heptachlor epoxide?

Heptachlor epoxide is usually classified under HS code 291090 (Epoxides, epoxyalcohols, epoxyphenols and epoxyethers, with a three-membered ring, and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Heptachlor epoxide?

CompoundList lists 2 suppliers of Heptachlor epoxide in Czech Republic and Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Heptachlor epoxide?

Suppliers quote Heptachlor epoxide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Heptachlor epoxide

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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