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Screening compounds

Azoxystrobin acid

Also known as (2E)-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylate, (2E)-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid, (2E)-(2-(6-(2-cyanophenoxy)pyrimidin-4-yloxy)phenyl)-3-methoxyacrylate

CAS 1185255-09-7Formula C21H15N3O5Molar mass 389.37 g/molEC 815-493-5
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant, Hazardous to the environment
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Azoxystrobin acid chemical structure, C21H15N3O5, CAS 1185255-09-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1185255-09-7
Formula
C21H15N3O5
Molar mass
389.37 g/mol
EC number
815-493-5
HS code
293359
Category
Screening compounds

What is Azoxystrobin acid?

Plain description, key identifiers and synonyms

Azoxystrobin acid is an aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 1-carboxy-2-methoxyethenyl substituent, also at C-2. It is a metabolite of the fungicidal agrochemical azoxystrobin. It has a role as a marine xenobiotic metabolite. It is a nitrile, an aromatic ether, an enol ether and an aryloxypyrimidine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoic acid
CAS number
1185255-09-7 CAS number cross-checked
EC number
815-493-5
Molecular formula
C21H15N3O5
MDL number
MFCD22989422
InChIKey
IKCXDZCEWZARFL-FOWTUZBSSA-N
InChI
InChI=1S/C21H15N3O5/c1-27-12-16(21(25)26)15-7-3-5-9-18(15)29-20-10-19(23-13-24-20)28-17-8-4-2-6-14(17)11-22/h2-10,12-13H,1H3,(H,25,26)/b16-12+
Canonical SMILES
COC=C(C(=O)O)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
Isomeric SMILES
CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)O

Synonyms

  • (2E)-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylate
  • (2E)-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid
  • (2E)-(2-(6-(2-cyanophenoxy)pyrimidin-4-yloxy)phenyl)-3-methoxyacrylate
  • (2E)-(2-((6-(2-cyanophenoxy)pyrimidin-4-yl)oxy)phenyl)-3-methoxyprop-2-enoic acid
  • (E)-2-[2-[6-(2-Cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-prop-2-enoic acid
  • (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoic acid
  • (E)-2-(2-((6-(2-Cyanophenoxy)pyrimidin-4-yl)oxy)phenyl)-3-methoxyacrylic Acid
  • (E)-2-(2-((6-(2-Cyanophenoxy)pyrimidin-4-yl)oxy)phenyl)-3-methoxyacrylic Acid(R234886)
  • azoxystrobin TP1
  • (E)-2-(2-(6-(2-cyanophenoxy)pyrimidin-4-yloxy)phenyl)-3-methoxyacrylic acid
  • (e)-2-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phenyl}-3-methoxyacrylic acid
  • Azoxystrobin metabolite R234886
  • (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoic acid
  • Azoxystrobin metabolite 2 (R234886)
  • Azoxystrobin (free acid) 10 ?g/mL in Acetonitrile
  • Azoxystrobin (free acid) 10 |Ig/mL in Acetonitrile
  • (E)-2-(2-((6-(2-Cyanophenoxy)pyrimidin-4-yl)oxy)phenyl)-3-methoxyacrylic Acid (R234886)
  • (E)-2-[2-[6-(2-Cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-prop-2-enoicacid

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
389.37 g/molcalc.
Exact mass
389.1012 Dacalc.
LogP (octanol/water)
4calc.
Topological polar surface area
114.6 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
7calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.05calc.
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, c1ccc(Oc2cc(Oc3ccccc3)ncn2)cc1

c1ccc(Oc2cc(Oc3ccccc3)ncn2)cc1

3 rings, 20 atoms, the 4,6-Diphenoxypyrimidine ring system.

41 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.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H331Toxic if inhaled.
  • H335May cause respiratory irritation.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (24)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • 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.
  • P271Use only outdoors or in a well-ventilated area.
  • 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.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • 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.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P391Collect spillage.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Azoxystrobin acid suppliers

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Azoxystrobin acid price

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Uses and applications

What the substance is used for, by industry and function

Use classes: Pesticide transformation products, Pesticides.

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 Azoxystrobin acid is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Azoxystrobin acid, based on the data on this page

What is Azoxystrobin acid?

Azoxystrobin acid is an aryloxypyrimidine having a 4,6-diphenoxypyrimidine skeleton in which one of the phenyl rings is cyano-substituted at C-2 and the other carries a 1-carboxy-2-methoxyethenyl substituent, also at C-2. It is a metabolite of the fungicidal agrochemical azoxystrobin.

What is the CAS number of Azoxystrobin acid?

The CAS registry number of Azoxystrobin acid is 1185255-09-7.

What is the molecular formula and weight of Azoxystrobin acid?

The molecular formula of Azoxystrobin acid is C21H15N3O5 and its molar mass is 389.37 g/mol.

What is Azoxystrobin acid used for?

Use classes: Pesticide transformation products, Pesticides.

Is Azoxystrobin acid hazardous?

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

What is the HS code of Azoxystrobin acid?

Azoxystrobin acid is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Azoxystrobin acid?

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

What is the price of Azoxystrobin acid?

Suppliers quote Azoxystrobin acid 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

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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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