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Pendimethalin chemical structure, C13H19N3O4, CAS 40487-42-1
2D chemical structure

Key facts

What buyers check first

Appearance
Orange-yellow crystal solid
Melting point
56 to 57
Boiling point
Decomposes on distillation
Density
1.19 at 25 °C
Flash point
33.3 °C
HS code
292142
Category
Herbicides
UN number
UN 3077
Illustrative photo, drums, an IBC tote and sacks in a chemical warehouse in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Pendimethalin?

Plain description, key identifiers and synonyms

Pendimethalin is a member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds. It has a role as a herbicide, an agrochemical and an environmental contaminant. It is a C-nitro compound, a substituted aniline and a secondary amino compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
CAS number
40487-42-1 CAS number cross-checked
EC number
254-938-2
Molecular formula
C13H19N3O4
UNII
VL6L14C06U
MDL number
MFCD00055332
InChIKey
CHIFOSRWCNZCFN-UHFFFAOYSA-N
InChI
InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3
SMILES (canonical and isomeric)
CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]

Synonyms

  • Pendimethaline
  • Penoxaline
  • Prowl
  • Phenoxalin
  • Herbadox
  • Accotab
  • Stomp
  • Penoxyn
  • Sipaxol
  • 3,4-Dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline
  • Way Up
  • Tendimethalin
  • Go-Go-San
  • Wayup
  • SWGC
  • N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine
  • Stomp 330D
  • Stomp 330E
  • N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine
  • Southern Weed Grass Control
  • 3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline
  • AC 92553
  • N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline
  • N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline
  • Aniline, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-
Show all 36 synonyms
  • 3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-
  • N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-aniline
  • Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-
  • N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin
  • N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin
  • Pay-Off
  • Penoxalin
  • Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-
  • 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
  • Pendimethalin Solution in Methanol
  • Pendimethaline [ISO-French]

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

Appearance
Orange-yellow crystal solidexp.
Odour
Faint, nutty odorexp.
Melting point
56 to 57exp.
Boiling point
Decomposes on distillationexp.
Density
1.19 at 25 °Cexp.
Flash point
33.3 °Cexp.
Solubility
In water, 0.33 mg/L at 20 °Cexp.
Vapour pressure
9.4 × 10⁻⁶ mm Hg at 25 °Cexp.

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
281.31 g/molcalc.
Exact mass
281.1376 Dacalc.
LogP (octanol/water)
3.72calc.
Topological polar surface area
98.31 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
20calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.54calc.
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

GHS signal word
Warning
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H361dSuspected of damaging the unborn child.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (7)
  • P203Obtain, read and follow all safety instructions before use.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P318If exposed or concerned, get medical advice.
  • P391Collect spillage.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 3077

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

Pendimethalin suppliers

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Where suppliers are based

76 suppliers in 16 countries

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Pendimethalin 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

Selective herbicide, Control of most annual grasses and many annual broad-leaved weeds, at 0.6-2.4 kg/ha, in cereals, onions, leeks, garlic, fennel, maize, sorghum, rice, soya beans, peanuts, brassicas, carrots, celery, black salsify, peas, field beans, lupins, evening primrose, tulips, potatoes, cotton, hops, pome fruit, stone fruit, berry fruit (including strawberries), citrus fruit, lettuce, aubergines, capsicums, established turf, and in transplanted tomatoes, sunflowers, and tobacco. Applied pre-plant incorporated, pre-emergence, pre-transplanting, or early post-emergence. Also used for control of suckers in tobacco.

Pendimethalin is a selective herbicide registered for control of broadleaf weeds and grassy weed species on a variety of agricultural crops, turf, and ornamentals. Pendimethalin disrupts the process of mitosis in the growth of shoots and roots.

Read more

It acts as a microtubule disruptor by inhibiting cell division and cell elongation in plants, and is generally applied early in the growing season. Absorption of the herbicide takes place at the roots and the shoots.

Use classes: Herbicides, Pesticides.

Pharmacological actions

  • Herbicides

Roles

  • agrochemical
  • environmental contaminant
  • herbicide
  • pesticide

Functional uses

  • Biocide

How it is made

A mixture of 4-chloro-3,5-dinitro-o-xylene (0.61 mol), 3-pentaneamine (1.82 mols), and xylene (1,400 mL) is brought to reflux. After refluxing overnight, the reaction mixture is cooled and filtered. The precipitate is washed with petroleum ether. The filtrate and washings are combined, washed with 500 ml of 10% hydrochloric acid, and finally with 2 liters of water. The organic layer is separated and dried. Removal of the drying agent and the solvent leaves an orange oil which crystallizes with the addition of methanol. A yellow orange solid with melting point of 56-57 °C is collected in about 85% yield.

Obtained from 3,4-xylidine by alkylation and dinitration.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 609-042-00-X

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Pendimethalin (ISO), N-(1-ethylpropyl)-2,6-dinitro-3,4-xylidene, Ref no: 1723, Annex ref: II/1723

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2921.42Indicative HS code

Aniline derivatives and their salts

World exports in 2024
$495M
−2.5% vs 2023, imports $440M
2019 to 2024
Top exporters
  1. China69.8%
  2. India * partner reported19.6%
  3. Japan3.3%
Top importers
  1. Pakistan17.0%
  2. United Arab Emirates * partner reported12.7%
  3. Brazil10.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pendimethalin?

Pendimethalin is a member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds.

What is the CAS number of Pendimethalin?

The CAS registry number of Pendimethalin is 40487-42-1.

What is the molecular formula and weight of Pendimethalin?

The molecular formula of Pendimethalin is C13H19N3O4 and its molar mass is 281.31 g/mol.

What is Pendimethalin used for?

Selective herbicide, Control of most annual grasses and many annual broad-leaved weeds, at 0.6-2.4 kg/ha, in cereals, onions, leeks, garlic, fennel, maize, sorghum, rice, soya beans, peanuts, brassicas, carrots, celery, black salsify, peas, field beans, lupins, evening primrose, tulips, potatoes, cotton, hops, pome fr…

Is Pendimethalin hazardous?

Pendimethalin carries the GHS signal word "Warning". Main hazards: suspected of damaging the unborn child, 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 Pendimethalin?

Pendimethalin is usually classified under HS code 292142 (Aniline derivatives and their salts). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pendimethalin?

CompoundList lists 76 suppliers of Pendimethalin in India, China, United States, France and 12 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Pendimethalin in India?

21 suppliers in India list Pendimethalin on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Pendimethalin?

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Guides for buyers

Practical guides that help when you source, ship or handle Pendimethalin

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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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