4-dimethoxyphosphinothioyloxybenzonitrile

C9H10NO3PS

CAS2636-26-2
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
2636-26-2
EC Number
220-130-3
UN Number
3018
Index Number
015-087-00-0
PubChem CID
17522

Physical-chemical properties

Molecular Formula
C9H10NO3PS
Molar Mass
243.22 g/mol
IUPAC Name
4-dimethoxyphosphinothioyloxybenzonitrile

Chemical Identifiers

InChI
InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
InChI Key
SCKHCCSZFPSHGR-UHFFFAOYSA-N

Overview

4-dimethoxyphosphinothioyloxybenzonitrile (CAS 2636-26-2) is an organophosphorus compound with distinct toxicological properties and environmental hazard classification. This specialized chemical compound, also identified by EC number 220-130-3, belongs to the organophosphorus family and features a molecular structure combining a benzonitrile moiety with a dimethoxyphosphinothioyl group. With a molecular formula of C9H10NO3PS and molecular weight of 243.22 g/mol, this substance exhibits specific chemical characteristics that make it valuable in various industrial applications while requiring careful handling protocols. The compound is classified under multiple acute toxicity categories (Acute Tox. 4) and carries significant environmental hazard designations (Aquatic Acute 1, Aquatic Chronic 1), reflecting its potential impact on aquatic ecosystems. The GHS07 and GHS09 pictograms indicate both health hazards and environmental dangers, while the "Warning" signal word and ADR class 6.1 classification emphasize the need for proper safety measures during transport and handling. Industrial applications of 4-dimethoxyphosphinothioyloxybenzonitrile typically include use as an intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized chemical manufacturing processes. The compound's unique structural features make it particularly suitable for reactions requiring organophosphorus functionality combined with aromatic nitrile groups. Similar compounds in this chemical family include phenyl 5,6-dichloro-2-(trifluoromethyl)benzimidazole-1-carboxylate and methyl 2-chloro-3-(4-chlorophenyl)propanoate, which share certain structural characteristics and may have overlapping applications in synthetic chemistry. OYSI provides this technical-grade chemical compound to European industrial customers with comprehensive documentation and safety data sheets to ensure compliant handling and application.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H312

Harmful in contact with skin.

H302

Harmful if swallowed.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Skin Contact

Harmful

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3018
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameCyanophos (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 4-dimethoxyphosphinothioyloxybenzonitrile?

4-dimethoxyphosphinothioyloxybenzonitrile is an organophosphorus compound with the molecular formula C9H10NO3PS and CAS number 2636-26-2. This chemical substance has a molecular weight of 243.22 g/mol and features both phosphorus-sulfur and nitrile functional groups in its structure. It is classified as moderately toxic (Acute Tox. 4) and highly toxic to aquatic life, requiring careful handling and appropriate safety measures during use.

What are the physicochemical properties of 4-dimethoxyphosphinothioyloxybenzonitrile?

4-dimethoxyphosphinothioyloxybenzonitrile is an organophosphorus compound with a molecular weight of 243.22 g/mol and molecular formula C9H10NO3PS. The substance contains both aromatic (benzonitrile) and phosphorothioate moieties, which influence its chemical behavior. As an organophosphorus compound, it likely exhibits limited water solubility and may be soluble in organic solvents. Specific physical properties such as melting point, boiling point, and appearance would require detailed analytical data for precise characterization.

What is 4-dimethoxyphosphinothioyloxybenzonitrile used for?

4-dimethoxyphosphinothioyloxybenzonitrile is primarily used as a chemical intermediate in organic synthesis and pharmaceutical research applications. The compound's unique structure, combining phosphorothioate and benzonitrile functionalities, makes it valuable for developing specialized chemical products. Its applications may include use in agrochemical synthesis, pharmaceutical intermediates, or specialized industrial processes. Due to its toxicity profile, it is typically used in controlled industrial environments rather than consumer applications.

How to handle 4-dimethoxyphosphinothioyloxybenzonitrile safely?

4-dimethoxyphosphinothioyloxybenzonitrile requires careful handling due to its Acute Tox. 4 classification. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hood to avoid inhalation exposure. Avoid skin and eye contact, and prevent ingestion. Use proper handling techniques to minimize dust formation and environmental release, considering its high aquatic toxicity (GHS09 pictogram).

How to store 4-dimethoxyphosphinothioyloxybenzonitrile correctly?

4-dimethoxyphosphinothioyloxybenzonitrile should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers upright and properly labeled with hazard information. Store away from heat sources, ignition sources, and direct sunlight. Due to its aquatic toxicity, ensure storage areas have appropriate containment measures to prevent environmental release. Maintain appropriate inventory records and restrict access to authorized personnel only.

What to do in case of contact with 4-dimethoxyphosphinothioyloxybenzonitrile?

In case of skin contact with 4-dimethoxyphosphinothioyloxybenzonitrile, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for at least 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult safety data sheet and contact poison control or medical professionals for specific guidance.

How to dispose of 4-dimethoxyphosphinothioyloxybenzonitrile appropriately?

4-dimethoxyphosphinothioyloxybenzonitrile must be disposed of as hazardous waste due to its toxicity classification and environmental hazard profile. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge into sewers, waterways, or soil due to its high aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). Follow local and national waste disposal regulations, maintain proper documentation, and ensure containers are properly labeled before disposal.

How to transport 4-dimethoxyphosphinothioyloxybenzonitrile?

4-dimethoxyphosphinothioyloxybenzonitrile is classified under ADR Class 6.1 (Toxic substances), Packing Group III, indicating moderate toxicity for transport purposes. Use appropriate packaging that meets UN specification requirements for Class 6.1 materials. Ensure proper labeling with hazard diamonds and shipping documentation. Transport vehicles must comply with ADR regulations for toxic substances, including appropriate placarding and driver certification. Follow proper loading, segregation, and emergency response procedures during transport.

Is 4-dimethoxyphosphinothioyloxybenzonitrile subject to specific regulations?

4-dimethoxyphosphinothioyloxybenzonitrile is subject to European chemical regulations including REACH and CLP classifications. It carries Warning signal word with GHS07 and GHS09 pictograms due to its acute toxicity and environmental hazard profile. The substance is not currently listed as SVHC (Substance of Very High Concern). Users must comply with occupational exposure limits, waste disposal regulations, and transport requirements under ADR Class 6.1 classification.

Where to buy 4-dimethoxyphosphinothioyloxybenzonitrile in Europe?

4-dimethoxyphosphinothioyloxybenzonitrile is available through OYSI, a European distributor specializing in technical chemical products. OYSI provides reliable supply chains for industrial and research applications throughout Europe, ensuring compliance with REACH and CLP regulations. As a specialized chemical with specific handling requirements, it's essential to work with experienced distributors who understand the regulatory and safety aspects of organophosphorus compounds and can provide appropriate technical support and documentation.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.