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Herbicides

Pyraquinate

Also known as 4-[[3-(3-chlorophenyl)-1,2,3,4-tetrahydro-1,5-dimethyl-2,4-dioxo-6-quinazolinyl]carbonyl]-1,3-dimethyl-1H-pyrazol-5-yl N,N-diethylcarbamate, 4-{[3-(3-chlorophenyl)-1,5-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl]carbonyl}-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamate, 4-{[3-(m-chlorophenyl)-1,2,3,4-tetrahydro-1,5-dimethyl-2,4-dioxoquinazolin-6-yl]carbonyl}-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamate

CAS 2378093-62-8Formula C27H28ClN5O5Molar mass 538.00 g/mol
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Pyraquinate chemical structure, C27H28ClN5O5, CAS 2378093-62-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2378093-62-8
Formula
C27H28ClN5O5
Molar mass
538.00 g/mol
HS code
293359
Category
Herbicides

What is Pyraquinate?

Plain description, key identifiers and synonyms

Pyraquinate is a member of the class of quinazolines that is 1-methylquinazoline-2,4(1H,3H)-dione substituted by 3-chlorophenyl, methyl, and {5-[(diethylcarbamoyl)oxy]-1,3-dimethyl-1H-pyrazol-4-yl}carbonyl groups at positions 3, 5, and 6, respectively. It is a herbicide developed by Liaoning Cynda Chemical Co. Ltd. It has a role as a herbicide and an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor. It is a carbamate ester, a member of pyrazoles, a member of quinazolines, an aromatic ketone and a member of monochlorobenzenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4-[3-(3-chlorophenyl)-1,5-dimethyl-2,4-dioxoquinazoline-6-carbonyl]-1,3-dimethylpyrazol-5-yl] N,N-diethylcarbamate
CAS number
2378093-62-8
Molecular formula
C27H28ClN5O5
UNII
PS6H4WV7W2
InChIKey
QCETYWAAOPFNSO-UHFFFAOYSA-N
InChI
InChI=1S/C27H28ClN5O5/c1-7-32(8-2)27(37)38-25-22(16(4)29-31(25)6)23(34)19-12-13-20-21(15(19)3)24(35)33(26(36)30(20)5)18-11-9-10-17(28)14-18/h9-14H,7-8H2,1-6H3
SMILES (canonical and isomeric)
CCN(CC)C(=O)OC1=C(C(=NN1C)C)C(=O)C2=C(C3=C(C=C2)N(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)C)C

Synonyms

  • 4-[[3-(3-chlorophenyl)-1,2,3,4-tetrahydro-1,5-dimethyl-2,4-dioxo-6-quinazolinyl]carbonyl]-1,3-dimethyl-1H-pyrazol-5-yl N,N-diethylcarbamate
  • 4-{[3-(3-chlorophenyl)-1,5-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl]carbonyl}-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamate
  • 4-{[3-(m-chlorophenyl)-1,2,3,4-tetrahydro-1,5-dimethyl-2,4-dioxoquinazolin-6-yl]carbonyl}-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamate
  • 4-[3-(3-chlorophenyl)-1,5-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro(quinazoline-6-carbonyl)]-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamate
  • 4-{[3-(3-Chlorophenyl)-1,5-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinyl]carbonyl}-1,3-dimethyl-1H-pyrazol-5-yl diethylcarbamate
  • Carbamic acid, N,N-diethyl-, 4-[[3-(3-chlorophenyl)-1,2,3,4-tetrahydro-1,5-dimethyl-2,4-dioxo-6-quinazolinyl]carbonyl]-1,3-dimethyl-1H-pyrazol-5-yl ester

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
538.00 g/molcalc.
Exact mass
537.1779 Dacalc.
LogP (octanol/water)
3.76calc.
Topological polar surface area
108.4 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
38calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.3calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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, O=C(c1cn[nH]c1)c1ccc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1

O=C(c1cn[nH]c1)c1ccc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1

4 rings, 25 atoms.

No other chemical in our database has 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.

Pyraquinate suppliers

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Pyraquinate 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

Roles

  • enzyme inhibitor
  • herbicide
  • pesticide

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 Pyraquinate 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 Pyraquinate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Pyraquinate?

Pyraquinate is a member of the class of quinazolines that is 1-methylquinazoline-2,4(1H,3H)-dione substituted by 3-chlorophenyl, methyl, and {5-[(diethylcarbamoyl)oxy]-1,3-dimethyl-1H-pyrazol-4-yl}carbonyl groups at positions 3, 5, and 6, respectively. It is a herbicide developed by Liaoning Cynda Chemical Co. Ltd.

What is the CAS number of Pyraquinate?

The CAS registry number of Pyraquinate is 2378093-62-8.

What is the molecular formula and weight of Pyraquinate?

The molecular formula of Pyraquinate is C27H28ClN5O5 and its molar mass is 538.00 g/mol.

What is Pyraquinate used for?

Known uses and roles of Pyraquinate include herbicides in agriculture and crop protection, enzyme inhibitor, herbicide and pesticide.

Is Pyraquinate hazardous?

No GHS hazard classification for Pyraquinate 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 Pyraquinate?

Pyraquinate 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 Pyraquinate?

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What is the price of Pyraquinate?

Suppliers quote Pyraquinate 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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