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Nitrofen chemical structure, C12H7Cl2NO3, CAS 1836-75-5
2D chemical structure

Key facts

What buyers check first

Appearance
Crystalline solid
Melting point
70 to 71
Boiling point
368 °C
Density
1.3 g/cm³
Flash point
>200
HS code
290930
Category
Herbicides
UN number
UN 3077
Illustrative photo, a shrink wrapped pallet of kraft paper sacks in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Nitrofen?

Plain description, key identifiers and synonyms

Nitrofen is an organic molecular entity. It has a role as a herbicide and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2,4-dichloro-1-(4-nitrophenoxy)benzene
CAS number
1836-75-5 CAS number cross-checkedOther or deprecated CAS: 13410-72-5
EC number
217-406-0
Molecular formula
C12H7Cl2NO3
UNII
N71UYG034A
MDL number
MFCD00128026
InChIKey
XITQUSLLOSKDTB-UHFFFAOYSA-N
InChI
InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
SMILES (canonical and isomeric)
C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl

Synonyms

  • 2,4-Dichloro-1-(4-nitrophenoxy)benzene
  • Nitrochlor
  • Niclofen
  • Mezotox
  • Trizilin
  • 2,4-Dichlorophenyl 4-nitrophenyl ether
  • Nitrafen
  • Nitraphen
  • Preparation 125
  • Tokkorn
  • Trizilin 25
  • Benzene, 2,4-dichloro-1-(4-nitrophenoxy)-
  • TOK E
  • Nitrofene
  • TOK E 40
  • 4-(2,4-Dichlorophenoxy)nitrobenzene
  • 2,4-Dichloro-4'-nitrodiphenyl ether
  • 2,4-Dichlorophenyl p-nitrophenyl ether
  • Ether, 2,4-dichlorophenyl p-nitrophenyl
  • 4-Nitro-2',4'-dichlorophenyl ether
  • TOK E-25
  • 4'-Nitro-2,4-dichlorodiphenyl ether
  • TOK WP-50
  • FW 925
  • 2,4-Dichloro-4'-nitrophenyl ether
Show all 36 synonyms
  • 2',4'-Dichloro-4-nitrobiphenyl ether
  • nitofen
  • 2,4-dichlorophenyl-4-nitrophenyl ether
  • 4-Nitro-2',4'-dichlorodiphenyl ether
  • TOK
  • 2',4'-dichloro-4-nitrodiphenyl ether
  • TOK E 25
  • Mezotox, NIP, Niclofen, Nitrochlo
  • 2,4-Dichloro-4'-nitrobiphenyl Ether
  • 4-(2,4-dichlorophenoxy)-1-nitrobenzene
  • Nitrofene [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
Crystalline solidexp.
Melting point
70 to 71exp.
Boiling point
368 °Cexp.
Density
1.3 g/cm³exp.
Flash point
>200exp.
Autoignition temperature
>400exp.
Solubility
In water, 1.0 mg/L at 22 °Cexp.
Vapour pressure
1.06 mPa /7.951 × 10⁻⁶ mm Hg/ at 40 °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
284.10 g/molcalc.
Exact mass
282.9803 Dacalc.
LogP (octanol/water)
4.69calc.
Topological polar surface area
52.37 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0calc.
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(Oc2ccccc2)cc1

c1ccc(Oc2ccccc2)cc1

2 rings, 13 atoms, the Diphenyl ether ring system.

9,579 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H302Harmful if swallowed.
  • H350May cause cancer.
  • H360DMay damage the unborn child.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (11)
  • P203Obtain, read and follow all safety instructions before use.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P330Rinse mouth.
  • 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

Nitrofen suppliers

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

All 38 suppliers
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Where suppliers are based

38 suppliers in 7 countries

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Nitrofen 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

Nitrofen is a contact herbicide for pre and post emergence control of annual grasses and broadleaf weeds on a variety of food and ornamental crops. Nitrofen has been applied in approximately 25 states by growers of rice, broccoli, cauliflower, cabbage, brussel sprouts, onions, garlic, and celery. Nitrofen has also been used in nurseries growing roses and chrysanthemums and on rights-of-way. ... Nitrofen has not been used around homes and gardens.

Formerly as a herbicide (US).

Use classes: Herbicides.

Pharmacological actions

  • Herbicides
  • Pesticides

Roles

  • enzyme inhibitor
  • herbicide
  • pesticide

Pharmacology

Nitrofen is a white, crystalline, solid, combustible, chlorinated compound. Nitrofen was used as an herbicide, but is no longer used or manufactured in the United States. Exposure to nitrofen irritates the skin, eyes and respiratory tract and affects the blood and central nervous system. This substance is teratogenic and carcinogenic in animals and is reasonably anticipated to be a human carcinogen. (NCI05)

How it is made

Nitrofen can be made by reaction of 2,4- dichlorophenol with p-chloronitrophenol in the presence of a base.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 609-040-00-9

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Nitrofen, Ref no: 697, Annex ref: II/697

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 Nitrofen is traded under.

HS 2909.30Indicative HS code

Aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives

World exports in 2024
$470M
−2.2% vs 2023, imports $432M
2019 to 2024
Top exporters
  1. China45.7%
  2. Germany15.7%
  3. India * partner reported9.9%
Top importers
  1. United States14.3%
  2. China11.8%
  3. India * partner reported8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Nitrofen?

Nitrofen is an organic molecular entity. It has a role as a herbicide and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor.

What is the CAS number of Nitrofen?

The CAS registry number of Nitrofen is 1836-75-5. Other or deprecated CAS numbers: 13410-72-5.

What is the molecular formula and weight of Nitrofen?

The molecular formula of Nitrofen is C12H7Cl2NO3 and its molar mass is 284.10 g/mol.

What is Nitrofen used for?

Nitrofen is a contact herbicide for pre and post emergence control of annual grasses and broadleaf weeds on a variety of food and ornamental crops. Nitrofen has been applied in approximately 25 states by growers of rice, broccoli, cauliflower, cabbage, brussel sprouts, onions, garlic, and celery.

Is Nitrofen hazardous?

Nitrofen carries the GHS signal word "Danger". Main hazards: harmful if swallowed, may cause cancer, may damage the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Nitrofen?

Nitrofen is usually classified under HS code 290930 (Aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nitrofen?

CompoundList lists 38 suppliers of Nitrofen in China, United States, Germany, Hong Kong and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Nitrofen?

Suppliers quote Nitrofen 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

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

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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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