CompoundList

Pyraflufen

Also known as pyraflufene, {2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetic acid, Acetic acid, (2-chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)-

Pyraflufen chemical structure, C13H9Cl2F3N2O4, CAS 129630-17-7
2D chemical structure

Key facts

What buyers check first

CAS number
129630-17-7
Formula
C13H9Cl2F3N2O4
Molar mass
385.13 g/mol
EC number
620-437-6
HS code
293319
Category
Herbicides

What is Pyraflufen?

Plain description, key identifiers and synonyms

Pyraflufen is a monocarboxylic acid that is 2-chloro-4-fluorophenylacetic acid in which the phenyl group is substituted at position 5 by a 4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl group. A protoporphyrinogen oxidase inhibitor, it is used (usually as the corresponding ethyl ester proherbicide, pyraflufen-ethyl) for the control of broad-leaved weeds and grasses in a variety of crops. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is a monocarboxylic acid, a member of pyrazoles, an aromatic ether, a biaryl, a member of monochlorobenzenes and a member of monofluorobenzenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetic acid
CAS number
129630-17-7 CAS number cross-checked
EC number
620-437-6
Molecular formula
C13H9Cl2F3N2O4
UNII
BP6251A20Q
InChIKey
YXIIPOGUBVYZIW-UHFFFAOYSA-N
InChI
InChI=1S/C13H9Cl2F3N2O4/c1-20-12(24-13(17)18)10(15)11(19-20)5-2-8(23-4-9(21)22)6(14)3-7(5)16/h2-3,13H,4H2,1H3,(H,21,22)
SMILES (canonical and isomeric)
CN1C(=C(C(=N1)C2=CC(=C(C=C2F)Cl)OCC(=O)O)Cl)OC(F)F

Synonyms

  • pyraflufene
  • {2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy}acetic acid
  • Acetic acid, (2-chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)-
  • [2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy]acetic acid
  • (2-Chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxy)acetic acid
  • 2-(2-Chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)acetic acid
  • 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl]-4-fluorophenoxy]acetic acid
  • (2-chloro-5-(4-chloro-5-(difluoromethoxy)-1-methyl-1H-pyrazol-3-yl)-4-fluorophenoxy)acetic acid
  • Pyraflufen (free acid)
  • 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetic acid
  • Pyraflufen-ethyl metabolite E-1
  • Pyraflufen (free acid) 100 microg/mL in Acetonitrile
  • 2-chloro-5-(4-chloro-5-difluoromethoxy-1-methylpyrazol-3-yl)-4-fluorophenoxyacetic 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
385.13 g/molcalc.
Exact mass
383.9891 Dacalc.
LogP (octanol/water)
3.6calc.
Topological polar surface area
73.58 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.23calc.
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(-c2cc[nH]n2)cc1

c1ccc(-c2cc[nH]n2)cc1

2 rings, 11 atoms, the 3-Phenyl-1H-pyrazole ring system.

6,232 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (3)
  • P273Avoid release to the environment.
  • P391Collect spillage.
  • 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

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Pyraflufen 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: Pesticide transformation products.

Roles

  • agrochemical
  • enzyme inhibitor
  • herbicide
  • pesticide

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 613-203-00-X[2]

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2933.19Indicative HS code

Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.44B
−22.6% vs 2023, imports $6.66B
2019 to 2024
Top exporters
  1. China21.6%
  2. Switzerland * partner reported20.5%
  3. Germany19.0%
Top importers
  1. Slovenia38.4%
  2. Portugal14.1%
  3. Brazil13.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pyraflufen?

Pyraflufen is a monocarboxylic acid that is 2-chloro-4-fluorophenylacetic acid in which the phenyl group is substituted at position 5 by a 4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl group.

What is the CAS number of Pyraflufen?

The CAS registry number of Pyraflufen is 129630-17-7.

What is the molecular formula and weight of Pyraflufen?

The molecular formula of Pyraflufen is C13H9Cl2F3N2O4 and its molar mass is 385.13 g/mol.

What is Pyraflufen used for?

Use classes: Pesticide transformation products.

Is Pyraflufen hazardous?

Pyraflufen carries the GHS signal word "Warning". Main hazards: very toxic to aquatic life, very toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pyraflufen?

Pyraflufen is usually classified under HS code 293319 (Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pyraflufen?

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What is the price of Pyraflufen?

Suppliers quote Pyraflufen 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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