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Aromatic building blocks

Propachlor ESA

Also known as 2-oxo-2-[phenyl(propan-2-yl)amino]ethanesulfonic acid, 2-oxo-2-(phenyl(propan-2-yl)amino)ethanesulfonic acid, 2-Oxo-2-(N-propan-2-ylanilino)ethanesulfonic acid

CAS 123732-85-4Formula C11H15NO4SMolar mass 257.31 g/mol
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Propachlor ESA chemical structure, C11H15NO4S, CAS 123732-85-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
123732-85-4
Formula
C11H15NO4S
Molar mass
257.31 g/mol
HS code
292429
Category
Aromatic building blocks

What is Propachlor ESA?

Plain description, key identifiers and synonyms

Propachlor ESA is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a phenyl(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide propachlor. It has a role as a marine xenobiotic metabolite. It is an anilide and an organosulfonic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-oxo-2-(N-propan-2-ylanilino)ethanesulfonic acid
CAS number
123732-85-4 CAS number cross-checked
Molecular formula
C11H15NO4S
UNII
58W9F4S6QP
InChIKey
BFSZJLBDHMMCAH-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO4S/c1-9(2)12(10-6-4-3-5-7-10)11(13)8-17(14,15)16/h3-7,9H,8H2,1-2H3,(H,14,15,16)
SMILES (canonical and isomeric)
CC(C)N(C1=CC=CC=C1)C(=O)CS(=O)(=O)O

Synonyms

  • 2-oxo-2-[phenyl(propan-2-yl)amino]ethanesulfonic acid
  • 2-oxo-2-(phenyl(propan-2-yl)amino)ethanesulfonic acid
  • 2-Oxo-2-(N-propan-2-ylanilino)ethanesulfonic acid
  • 2-[(1-Methylethyl)phenylamino]-2-oxoethanesulfonic acid
  • Ethanesulfonic acid, 2-[(1-methylethyl)phenylamino]-2-oxo-
  • Propachlor-ESA
  • Propachlor- ESA
  • Propachlor metabolite
  • 2-Oxo-2-[phenyl(propan-2-yl)amino]ethane-1-sulfonic acid

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
257.31 g/molcalc.
Exact mass
257.0722 Dacalc.
LogP (octanol/water)
1.32calc.
Topological polar surface area
74.68 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
17calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
0calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 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.

Propachlor ESA suppliers

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Propachlor ESA 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

Use classes: Pesticides, Pesticide transformation products.

Roles

  • marine metabolite
  • marine xenobiotic metabolite
  • metabolite
  • xenobiotic metabolite

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 Propachlor ESA is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024
$5.69B
−5.1% vs 2023, imports $5.8B
2019 to 2024
Top exporters
  1. China32.3%
  2. Switzerland * partner reported13.6%
  3. Norway * partner reported12.8%
Top importers
  1. United States15.9%
  2. Ireland15.8%
  3. Germany11.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Propachlor ESA, based on the data on this page

What is Propachlor ESA?

Propachlor ESA is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a phenyl(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide propachlor. It has a role as a marine xenobiotic metabolite. It is an anilide and an organosulfonic acid.

What is the CAS number of Propachlor ESA?

The CAS registry number of Propachlor ESA is 123732-85-4.

What is the molecular formula and weight of Propachlor ESA?

The molecular formula of Propachlor ESA is C11H15NO4S and its molar mass is 257.31 g/mol.

What is Propachlor ESA used for?

Use classes: Pesticides, Pesticide transformation products.

Is Propachlor ESA hazardous?

No GHS hazard classification for Propachlor ESA 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 Propachlor ESA?

Propachlor ESA is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Propachlor ESA?

Post a free request on CompoundList and suppliers of Propachlor ESA will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Propachlor ESA?

Suppliers quote Propachlor ESA 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 Propachlor ESA

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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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