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Aromatic building blocks

Phosnichlor

Also known as BAY 22330, O-(4-Chloro-3-nitrophenyl) O,O-dimethyl phosphorothioate, Phosphorothioic acid, O-(4-chloro-3-nitrophenyl) O,O-dimethyl ester

CAS 5826-76-6Formula C8H9ClNO5PSMolar mass 297.66 g/mol
GHS signal word: Warning. Pictograms: Harmful or irritant
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Phosnichlor chemical structure, C8H9ClNO5PS, CAS 5826-76-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5826-76-6
Formula
C8H9ClNO5PS
Molar mass
297.66 g/mol
HS code
292019
Category
Aromatic building blocks

What is Phosnichlor?

Plain description, key identifiers and synonyms

Phosnichlor is a chemical substance with the molecular formula C8H9ClNO5PS and a molar mass of 297.66 g/mol. Its CAS registry number is 5826-76-6. The IUPAC name is (4-chloro-3-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4-chloro-3-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
CAS number
5826-76-6 CAS number cross-checked
Molecular formula
C8H9ClNO5PS
UNII
6X2G6LQD3I
InChIKey
UFNIXJPHHIPRFX-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-7(9)8(5-6)10(11)12/h3-5H,1-2H3
SMILES (canonical and isomeric)
COP(=S)(OC)OC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Synonyms

  • BAY 22330
  • O-(4-Chloro-3-nitrophenyl) O,O-dimethyl phosphorothioate
  • Phosphorothioic acid, O-(4-chloro-3-nitrophenyl) O,O-dimethyl ester
  • 4-06-00-01353 (Beilstein Handbook Reference)
  • o-4-Chloro-3-nitrophenyl O,O-dimethyl phosphorothioate
  • (4-chloro-3-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
  • (4-chloro-3-nitrophenoxy)-dimethoxy-sulfanylidene-phosphorane

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
297.66 g/molcalc.
Exact mass
296.9628 Dacalc.
LogP (octanol/water)
3.14calc.
Topological polar surface area
70.83 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
17calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.25calc.
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
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H332Harmful if inhaled.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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 aid

Phosnichlor suppliers

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Phosnichlor price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 015-043-00-0

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2920.19Indicative HS code

Thiophosphoric esters (phosphorothioates) and their salts, their halogenated…

World exports in 2024
$131M
+2.1% vs 2023, imports $115M
2019 to 2024
Top exporters
  1. China59.7%
  2. Japan17.6%
  3. Germany9.1%
Top importers
  1. Brazil16.0%
  2. United States13.3%
  3. India * partner reported8.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Phosnichlor?

Phosnichlor is a chemical substance with the molecular formula C8H9ClNO5PS and a molar mass of 297.66 g/mol. Its CAS registry number is 5826-76-6. The IUPAC name is (4-chloro-3-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane.

What is the CAS number of Phosnichlor?

The CAS registry number of Phosnichlor is 5826-76-6.

What is the molecular formula and weight of Phosnichlor?

The molecular formula of Phosnichlor is C8H9ClNO5PS and its molar mass is 297.66 g/mol.

What is Phosnichlor used for?

Known uses and roles of Phosnichlor include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Phosnichlor hazardous?

Phosnichlor carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Phosnichlor?

Phosnichlor is usually classified under HS code 292019 (Thiophosphoric esters (phosphorothioates) and their salts, their halogenated…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phosnichlor?

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What is the price of Phosnichlor?

Suppliers quote Phosnichlor 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 Phosnichlor

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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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