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Aromatic building blocks

Aldrex

Also known as O,O-Diethyl O-(4-nitrophenyl) phosphorothioate--(1R,4S,4aS,5R,8S,8aR)-1,2,3,4,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene (1/1)

CAS 8063-66-9Formula C22H22Cl6NO5PSMolar mass 656.18 g/mol
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Aldrex chemical structure, C22H22Cl6NO5PS, CAS 8063-66-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
8063-66-9
Formula
C22H22Cl6NO5PS
Molar mass
656.18 g/mol
HS code
292011
Category
Aromatic building blocks

What is Aldrex?

Plain description, key identifiers and synonyms

Aldrex is a chemical substance with the molecular formula C22H22Cl6NO5PS and a molar mass of 656.18 g/mol. Its CAS registry number is 8063-66-9. The IUPAC name is diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane, (1R,2R,3S,6R,7S,8S)-1,8,9,10,12,12-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane, (1R,2R,3S,6R,7S,8S)-1,8,9,10,12,12-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene
CAS number
8063-66-9 CAS number cross-checked
Molecular formula
C22H22Cl6NO5PS
InChIKey
MLUUUIRQGOEOGP-RJBQQULMSA-N
InChI
InChI=1S/C12H8Cl6.C10H14NO5PS/c13-8-9(14)11(16)3-10(8,15)6-4-1-2-5(7(6)11)12(4,17)18;1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h1-2,4-7H,3H2;5-8H,3-4H2,1-2H3/t4-,5+,6-,7+,10+,11-;
Canonical SMILES
CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1.ClC1=C(Cl)C2(Cl)CC1(Cl)C1C2C2C=CC1C2(Cl)Cl
Isomeric SMILES
CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-].C1[C@@]2([C@@H]3[C@H]4C=C[C@@H]([C@@H]3[C@]1(C(=C2Cl)Cl)Cl)C4(Cl)Cl)Cl

Synonyms

  • O,O-Diethyl O-(4-nitrophenyl) phosphorothioate--(1R,4S,4aS,5R,8S,8aR)-1,2,3,4,9,9-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene (1/1)

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
656.18 g/molcalc.
Exact mass
652.9087 Dacalc.
LogP (octanol/water)
8.54calc.
Topological polar surface area
70.83 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
36calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
6calc.
Components
2calc.
Lipinski rule of five
Fails (2 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=CC2CC1C1C3C=CC(C3)C21

C1=CC2CC1C1C3C=CC(C3)C21

4 rings, 12 atoms, the 1,4:5,8-Dimethanonaphthalene,1,4,4a,5,8,8a-hexahydro-,(1alpha,4alpha,4aalpha,5beta,8beta,8aalpha)- ring system.

8 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Aldrex suppliers

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Aldrex 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

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2920.11Indicative HS code

Parathion (ISO) and parathion-methyl (ISO) (methyl-parathion)

World exports in 2024
$1.33M
+131% vs 2023, imports $2.39M
2019 to 2024
Top exporters
  1. United States58.4%
  2. Netherlands36.4%
  3. Germany2.5%
Top importers
  1. South Africa52.4%
  2. Trinidad and Tobago * partner reported32.0%
  3. Italy5.8%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Aldrex, based on the data on this page

What is Aldrex?

Aldrex is a chemical substance with the molecular formula C22H22Cl6NO5PS and a molar mass of 656.18 g/mol. Its CAS registry number is 8063-66-9. The IUPAC name is diethoxy-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane, (1R,2R,3S,6R,7S,8S)-1,8,9,10,12,12-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene.

What is the CAS number of Aldrex?

The CAS registry number of Aldrex is 8063-66-9.

What is the molecular formula and weight of Aldrex?

The molecular formula of Aldrex is C22H22Cl6NO5PS and its molar mass is 656.18 g/mol.

What is Aldrex used for?

Known uses and roles of Aldrex include building blocks in research and laboratory.

Is Aldrex hazardous?

No GHS hazard classification for Aldrex is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Aldrex?

Aldrex is usually classified under HS code 292011 (Parathion (ISO) and parathion-methyl (ISO) (methyl-parathion)). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Aldrex?

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What is the price of Aldrex?

Suppliers quote Aldrex 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 Aldrex

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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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