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Screening compounds

Erex

Also known as 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-, mixt. with (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane

CAS 104276-45-1Formula C20H22Cl7N3O2Molar mass 584.59 g/mol
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Erex chemical structure, C20H22Cl7N3O2, CAS 104276-45-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
104276-45-1
Formula
C20H22Cl7N3O2
Molar mass
584.59 g/mol
HS code
293399
Category
Screening compounds

What is Erex?

Plain description, key identifiers and synonyms

Erex is a chemical substance with the molecular formula C20H22Cl7N3O2 and a molar mass of 584.59 g/mol. Its CAS registry number is 104276-45-1. The IUPAC name is 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one, 1,2,3,4,5,6-hexachlorocyclohexane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one, 1,2,3,4,5,6-hexachlorocyclohexane
CAS number
104276-45-1
Molecular formula
C20H22Cl7N3O2
InChIKey
TXVSKICRKPPKAZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H16ClN3O2.C6H6Cl6/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11;7-1-2(8)4(10)6(12)5(11)3(1)9/h4-9,13H,1-3H3;1-6H
SMILES (canonical and isomeric)
CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl.C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl

Synonyms

  • 2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-, mixt. with (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane

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
584.59 g/molcalc.
Exact mass
580.9532 Dacalc.
LogP (octanol/water)
6.77calc.
Topological polar surface area
57.01 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc(OCn2cncn2)cc1

c1ccc(OCn2cncn2)cc1

2 rings, 13 atoms, the 1-(Phenoxymethyl)-1H-1,2,4-triazole ring system.

31 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.

Erex suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Erex 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 Erex is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Erex?

Erex is a chemical substance with the molecular formula C20H22Cl7N3O2 and a molar mass of 584.59 g/mol. Its CAS registry number is 104276-45-1. The IUPAC name is 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one, 1,2,3,4,5,6-hexachlorocyclohexane.

What is the CAS number of Erex?

The CAS registry number of Erex is 104276-45-1.

What is the molecular formula and weight of Erex?

The molecular formula of Erex is C20H22Cl7N3O2 and its molar mass is 584.59 g/mol.

What is Erex used for?

Known uses and roles of Erex include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Erex hazardous?

No GHS hazard classification for Erex 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 Erex?

Erex is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Erex?

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What is the price of Erex?

Suppliers quote Erex 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 Erex

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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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