Heptachlor epoxide
Also known as Epoxyheptachlor, Velsicol 53-CS-17, ENT 25,584
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 synonymsShow fewer 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.Measured value |
|---|---|
| Solubility | 0.350 PPM IN WATERexp.Measured value |
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.Computed value |
|---|---|
| Exact mass | 385.816 Dacalc.Computed value |
| LogP (octanol/water) | 4.45calc.Computed value |
| Topological polar surface area | 12.53 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 18calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.8calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 7calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
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 scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
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 aidHeptachlor epoxide suppliers
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- Price on request
- Czech Republic, Czech RepublicUnclaimed profileHeptachlor epoxideGrade, purity and minimum order on requestPrice on request
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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.
Industries and functions
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 cosmeticsName: 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.
Epoxides with a three-membered ring and their halogenated, sulphonated, nitrated or nitrosated derivatives…
- Netherlands24.5%
- China19.7%
- Japan18.8%
- United States17.6%
- Germany16.3%
- China10.8%
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?
What is the CAS number of Heptachlor epoxide?
What is the molecular formula and weight of Heptachlor epoxide?
What is Heptachlor epoxide used for?
Is Heptachlor epoxide hazardous?
What is the HS code of Heptachlor epoxide?
Where can I buy Heptachlor epoxide?
What is the price of Heptachlor epoxide?
Guides for buyers
Practical guides that help when you source, ship or handle Heptachlor epoxide
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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