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)-
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.Computed value |
|---|---|
| Exact mass | 383.9891 Dacalc.Computed value |
| LogP (octanol/water) | 3.6calc.Computed value |
| Topological polar surface area | 73.58 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 24calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.23calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc(-c2cc[nH]n2)cc1
2 rings, 11 atoms, the 3-Phenyl-1H-pyrazole ring system.
6,232 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
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 aidPyraflufen suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
Post one free request and suppliers who make or trade Pyraflufen can send you quotes. Your contact details stay private until you accept a quote.
Pyraflufen price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Use classes: Pesticide transformation products.
Industries and functions
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.
Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…
- China21.6%
- Switzerland * partner reported20.5%
- Germany19.0%
* Partner reported figures, a lower bound.
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?
What is the CAS number of Pyraflufen?
What is the molecular formula and weight of Pyraflufen?
What is Pyraflufen used for?
Is Pyraflufen hazardous?
What is the HS code of Pyraflufen?
Where can I buy Pyraflufen?
What is the price of Pyraflufen?
Guides for buyers
Practical guides that help when you source, ship or handle Pyraflufen
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
Get quotes for Pyraflufen
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Pyraflufen with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/pyraflufen-129630-17-7" title="Pyraflufen structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Herbicides or HS code 293319