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Screening compounds

alpha-Endosulfan

Also known as alpha-Benzoepin, alpha-Thiodan, beta-Thionex

CAS 959-98-8Formula C9H6Cl6O3SMolar mass 406.93 g/molEC 625-034-9
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant, Hazardous to the environment Controlled, licensed buyers only
Request as a licensed buyer Safety data
alpha-Endosulfan chemical structure, C9H6Cl6O3S, CAS 959-98-8
2D chemical structure

Key facts

What buyers check first

All properties
Physical form
Crystals
Melting point
107.8 to 110
Solubility
Insoluble
HS code
293499
Category
Screening compounds
UN number
UN 2761

What is alpha-Endosulfan?

Plain description, key identifiers and synonyms

Alpha - endosulfan appears as brown crystals. (NTP, 1992)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2S,8R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5λ4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide
CAS number
959-98-8 CAS number cross-checkedOther or deprecated CAS: 33213-65-9
EC number
625-034-9
Molecular formula
C9H6Cl6O3S
UNII
QY5Y9R7G0E, TT768EVS2A
MDL number
MFCD00151174, MFCD00151176
InChIKey
RDYMFSUJUZBWLH-AZVNHNRSSA-N
InChI
InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19?
Canonical SMILES
O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
Isomeric SMILES
C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl

Synonyms

  • alpha-Benzoepin
  • alpha-Thiodan
  • beta-Thionex
  • Endosulfan 1
  • Thiodan i
  • 5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-
  • Endosulfan I
  • beta-Endosulfan
  • Endosulfan II
  • Endosulfan B
  • Endosulfan 2
  • Endosulfan A
  • a-Endosulfan
  • b-Endosulfan
  • General Weed Killer
  • 5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, exo-
  • (1R,2S,8R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide
  • alpha-Thionex
  • beta-Thiodan
  • beta-Benzoepin
  • Endosulfan, beta
  • b-Endosulfan-beta
  • Endosulfan, alpha
  • a-Endosulfan-alpha
  • 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3alpha,5abeta,6alpha,9alpha,9abeta)-
Show all 33 synonyms
  • endosulfan, technical grade
  • EndosulfanI
  • Endosulphan I
  • alpha-ES
  • 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3alpha,5aalpha,6beta,9beta,9aalpha)-
  • Thiodan ii
  • +/--Endosulfan solution
  • Endosulfan

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

Physical form
Crystalsexp.
Melting point
107.8 to 110exp.
Solubility
Insolubleexp.

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
406.93 g/molcalc.
Exact mass
403.8169 Dacalc.
LogP (octanol/water)
3.69calc.
Topological polar surface area
35.53 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
5calc.
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, O=S1OCC2C3C=CC(C3)C2CO1

O=S1OCC2C3C=CC(C3)C2CO1

3 rings, 13 atoms.

4 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)
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H319Causes serious eye irritation.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (17)
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • 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.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P337 + P317If eye irritation persists: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • 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

alpha-Endosulfan suppliers

Controlled substance, listings of documented suppliers only, in the documented ranking

Controlled or monitored substance

alpha-Endosulfan is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.

Our policy on controlled substances
No documented supplier lists it yet

Licensed buyers can post a request for alpha-Endosulfan with their licence. Our compliance team reviews it before suppliers see it.

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alpha-Endosulfan price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Functional uses

  • Biocide

Regulatory status

Inventories, regulations and trade controls that list this substance

Controlled or monitored substance

alpha-Endosulfan is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.

Our policy on controlled substances

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code alpha-Endosulfan is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about alpha-Endosulfan, based on the data on this page

What is alpha-Endosulfan?

Alpha - endosulfan appears as brown crystals. (NTP, 1992)

What is the CAS number of alpha-Endosulfan?

The CAS registry number of alpha-Endosulfan is 959-98-8. Other or deprecated CAS numbers: 33213-65-9.

What is the molecular formula and weight of alpha-Endosulfan?

The molecular formula of alpha-Endosulfan is C9H6Cl6O3S and its molar mass is 406.93 g/mol.

What is alpha-Endosulfan used for?

Known uses and roles of alpha-Endosulfan include building blocks in research and laboratory, screening compounds in research and laboratory and biocide.

Is alpha-Endosulfan hazardous?

alpha-Endosulfan carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic in contact with skin, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of alpha-Endosulfan?

alpha-Endosulfan is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Can I buy alpha-Endosulfan on CompoundList?

alpha-Endosulfan is a controlled substance. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed by our compliance team before suppliers see it.

Guides for buyers

Practical guides that help when you source, ship or handle alpha-Endosulfan

Request as a licensed buyer

Upload your licence with the request. Our compliance team reviews it before the documented suppliers see it.
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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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