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Simazine chemical structure, C7H12ClN5, CAS 122-34-9
2D chemical structure

Key facts

What buyers check first

Appearance
White solid
Melting point
225 to 227
Density
1.3 g/cmยณ
Solubility
In water, 6.2 mg/L (pH 7, 20 ยฐC)
HS code
293369
Category
Herbicides
UN number
UN 3077
Illustrative photo, white powder in an open fibre drum in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Simazine?

Plain description, key identifiers and synonyms

Simazine is a diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a chloro-1,3,5-triazine and a diamino-1,3,5-triazine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CAS number
122-34-9 CAS number cross-checked
EC number
204-535-2
Molecular formula
C7H12ClN5
UNII
SG0C34SMY3
MDL number
MFCD00023174
InChIKey
ODCWYMIRDDJXKW-UHFFFAOYSA-N
InChI
InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
SMILES (canonical and isomeric)
CCNC1=NC(=NC(=N1)Cl)NCC

Synonyms

  • Gesatop
  • Princep
  • Simanex
  • Gesapun
  • Primatol S
  • Aquazine
  • Batazina
  • Herbazin
  • Symazine
  • Tafazine
  • Taphazine
  • Bitemol
  • Herbex
  • Herboxy
  • Printop
  • Radocon
  • Radokor
  • Simadex
  • Zeapur
  • Herbazin 50
  • Aktinit S
  • Hungazin DT
  • Premazine
  • Gesaran
  • Simazin
Show all 39 synonyms
  • Simazine 80W
  • Gesatop 50
  • 6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
  • Tafazine 50-W
  • Cekuzina-S
  • Primatel S
  • CAT (herbicide)
  • Yrodazin
  • Azotop
  • Simatsin-neste
  • Herbatoxol S
  • Triazine A 384
  • 2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine
  • Geigy 27,692

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
White solidexp.
Melting point
225 to 227exp.
Density
1.3 g/cmยณexp.
Solubility
In water, 6.2 mg/L (pH 7, 20 ยฐC)exp.
Vapour pressure
2.2 ร— 10โปโธ mm Hg at 25 ยฐCexp.

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
201.66 g/molcalc.
Exact mass
201.0781 Dacalc.
LogP (octanol/water)
1.39calc.
Topological polar surface area
62.73 ร…ยฒcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
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, c1ncncn1

c1ncncn1

1 ring, 6 atoms, the 1,3,5-Triazine ring system.

1,908 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

  • H351Suspected of causing cancer.
  • 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

Simazine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 81 suppliers
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  • Australia, MintoUnclaimed profile
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  • China, Shanghai ManufacturerUnclaimed profile
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  • United States, Greensboro ManufacturerUnclaimed profile
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  • United States, Memphis ManufacturerUnclaimed profile
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  • United States, Tampa ManufacturerUnclaimed profile
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  • United States, Yuma ManufacturerUnclaimed profile
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  • United States, Collierville ManufacturerUnclaimed profile
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  • Italy ManufacturerUnclaimed profile
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  • United States, ValdostaUnclaimed profile
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  • United States, Omaha ManufacturerUnclaimed profile
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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

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Simazine price

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Uses and applications

What the substance is used for, by industry and function

Simazine is a selective herbicide used for control of broadleaf weeds and annual grasses in corn, established alfalfa, fruit, nuts, asparagus, ornamentals, and turf.

Selective systemic herbicide. Control of most germinating annual grasses and broad-leaved weeds.

Simazine is also used for selective control of algae and submerged weeds in ponds. It is approved for algae control in swimming pools, large aquaria, ornamental fish ponds, fountains, and recirculating water cooling towers.

Use classes: Herbicides, Pesticides.

Pharmacological actions

  • Herbicides

Roles

  • environmental contaminant
  • herbicide
  • pesticide
  • xenobiotic

Functional uses

  • Biocide

How it is made

Simazine is made by the reaction of cyanuric chloride with two equivalents of ethylamine in presence of an acid acceptor.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 612-088-00-3

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Simazine, Ref no: 1008, Annex ref: II/1008

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2933.69Indicative HS code

Compounds containing an unfused triazine ring (whether or not hydrogenated) in theโ€ฆ

World exports in 2024
$2.46B
+1.8% vs 2023, imports $2.44B
2019 to 2024
Top exporters
  1. China53.6%
  2. Germany11.5%
  3. India * partner reported8.4%
Top importers
  1. United States13.5%
  2. Brazil9.6%
  3. Germany9.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Simazine?

Simazine is a diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a chloro-1,3,5-triazine and a diamino-1,3,5-triazine.

What is the CAS number of Simazine?

The CAS registry number of Simazine is 122-34-9.

What is the molecular formula and weight of Simazine?

The molecular formula of Simazine is C7H12ClN5 and its molar mass is 201.66 g/mol.

What is Simazine used for?

Simazine is a selective herbicide used for control of broadleaf weeds and annual grasses in corn, established alfalfa, fruit, nuts, asparagus, ornamentals, and turf. Selective systemic herbicide. Control of most germinating annual grasses and broad-leaved weeds.

Is Simazine hazardous?

Simazine carries the GHS signal word "Warning". Main hazards: suspected of causing cancer, 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 Simazine?

Simazine is usually classified under HS code 293369 (Compounds containing an unfused triazine ring (whether or not hydrogenated) in theโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Simazine?

CompoundList lists 81 suppliers of Simazine in China, Brazil, United States, Hong Kong and 9 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Simazine in India?

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

What is the price of Simazine?

Suppliers quote Simazine 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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