Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate

C15H24NO4PS

propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate

CAS25311-71-1
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
25311-71-1
EC Number
246-814-1
UN Number
3018
Index Number
015-129-00-8
PubChem CID
32872

Physical-chemical properties

Molecular Formula
C15H24NO4PS
Molar Mass
345.40 g/mol
IUPAC Name
propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate

Chemical Identifiers

InChI
InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)
InChI Key
HOQADATXFBOEGG-UHFFFAOYSA-N

Overview

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate (CAS 25311-71-1) is an organophosphorus compound with acute toxicity properties and significant environmental impact concerns. This specialized chemical compound, with the molecular formula C15H24NO4PS and a molecular weight of 345.4 g/mol, belongs to the family of organophosphorus derivatives commonly utilized in industrial applications. The substance is characterized by its complex molecular structure, which incorporates both phosphorus and sulfur functional groups along with benzoate and isopropyl moieties, contributing to its distinctive chemical properties and biological activity profile. From a safety perspective, propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate presents significant hazard considerations. Classified under ADR Class 6.1, it carries acute toxicity warnings (Acute Tox. 3) and displays both acute and chronic aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). The substance requires careful handling protocols, as indicated by its GHS06 and GHS09 pictograms and "Danger" signal word. These classifications necessitate appropriate personal protective equipment and specialized storage conditions during industrial handling and transportation. In industrial applications, this organophosphorus compound finds utility in specialized chemical synthesis processes, particularly in the development of biologically active compounds and as an intermediate in pharmaceutical manufacturing. The compound shares structural similarities with other organophosphorus derivatives such as diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane, which is also employed in similar synthetic applications. Additionally, it may serve as a precursor in agrochemical formulations where controlled biological activity is desired. OYSI maintains reliable supply chains for propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate to support European industrial customers requiring this specialized organophosphorus compound.

Safety & Classification

Danger
Classification:

Acute Tox. 3 *; Acute Tox. 3 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H311

Toxic in contact with skin.

H301

Toxic 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

Toxic

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

Toxic

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 GroupII
Tunnel CodeD/E
Proper Shipping NameIsofenphos (ISO)
Marine PollutantNo

Frequently Asked Questions

What is propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is an organophosphorus compound with CAS number 25311-71-1 and molecular formula C15H24NO4PS. This chemical substance has a molecular weight of 345.4 g/mol and belongs to the class of phosphinothioyl derivatives. It is classified as acutely toxic and highly hazardous to aquatic environments, requiring careful handling and specialized knowledge for safe use.

What are the physicochemical properties of propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate has a molecular weight of 345.4 g/mol and contains phosphorus and sulfur atoms in its structure. As an organophosphorus compound with multiple functional groups including ester and amino groups, it likely exhibits moderate polarity. Specific physical properties such as melting point, boiling point, and solubility data should be consulted from technical datasheets for precise handling requirements.

What is propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate used for?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is primarily used as an intermediate in chemical synthesis and research applications. Given its organophosphorus structure, it may serve as a precursor for specialized chemical compounds or as a reagent in organic synthesis processes. The compound finds applications in pharmaceutical research, agrochemical development, or specialized industrial processes requiring phosphorus-containing intermediates.

How to handle propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate safely?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate requires careful handling due to its Acute Tox. 3 classification and Danger signal word. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Avoid skin and eye contact, and ensure emergency washing facilities are readily available. Handle only by trained personnel familiar with toxic substances.

How to store propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate correctly?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep away from heat sources, direct sunlight, and moisture. Store separately from oxidizing agents, acids, and bases due to potential incompatibilities. Ensure storage areas are equipped with appropriate containment measures and are accessible only to authorized personnel trained in handling toxic substances.

What to do in case of contact with propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate?

Immediate action is required in case of contact with propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate due to its acute toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes. If inhaled, move to fresh air immediately. Seek medical attention promptly for all exposure routes and provide the safety data sheet to medical personnel.

How to dispose of propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate appropriately?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate must be disposed of as hazardous waste according to local and national regulations. Due to its acute toxicity and environmental hazard classification, it requires specialized treatment by licensed waste management facilities. Never dispose of in regular waste streams, sewers, or the environment. Contact certified hazardous waste disposal companies and provide complete chemical identification and safety information for proper treatment.

How to transport propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is classified under ADR Class 6.1, Packing Group II, identifying it as a toxic substance for transport purposes. Transportation must comply with dangerous goods regulations including proper packaging, labeling with GHS06 and GHS09 pictograms, and appropriate shipping documentation. Only authorized carriers trained in hazardous materials transport should handle shipments, ensuring compliance with all applicable transport regulations.

Is propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate subject to specific regulations?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is subject to REACH registration requirements in Europe and CLP classification regulations due to its hazardous properties. While not currently listed as a SVHC substance, it must comply with acute toxicity and environmental hazard labeling requirements. Users must follow occupational exposure limits, waste disposal regulations, and transport classifications. Regular regulatory monitoring is recommended as requirements may evolve based on risk assessments.

Where to buy propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate in Europe?

Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to qualified industrial and research customers with appropriate handling capabilities. Due to its hazardous classification, purchase requires compliance verification and proper documentation. Contact OYSI directly for availability, technical specifications, and regulatory compliance support for your specific application requirements.

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Propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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