Diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate

C10H16N3O5PS2

diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate

CAS162208-27-7
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
162208-27-7
EC Number
426-790-0
UN Number
2811
Index Number
607-572-00-6
PubChem CID
45357829

Physical-chemical properties

Molecular Formula
C10H16N3O5PS2
Molar Mass
353.40 g/mol
IUPAC Name
diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate

Chemical Identifiers

InChI
InChI=1S/C10H16N3O5PS2/c1-4-16-19(20,17-5-2)18-9(14)8(13-15-3)7-6-21-10(11)12-7/h6H,4-5H2,1-3H3,(H2,11,12)/b13-8-
InChI Key
JNSGIVNNHKGGRU-JYRVWZFOSA-N

Overview

Diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate (CAS 162208-27-7) is an organophosphorus compound featuring thiazole and oxime functional groups with notable biological activity properties. This complex organophosphorus derivative represents a sophisticated chemical structure combining multiple functional groups that contribute to its unique properties and applications. The compound contains a thiazole ring system with an amino substituent, an oxime group in the Z-configuration, and a phosphorothioate ester moiety. With a molecular formula of C10H16N3O5PS2 and molecular weight of 353.4 g/mol, this substance demonstrates the intricate nature of modern synthetic chemistry. The presence of both phosphorus and sulfur atoms, along with the thiazole heterocycle, places this compound in a distinct chemical class compared to simpler organic molecules like 4-aminophenol or aromatic compounds such as 9-ethenylcarbazole. The Z-configuration of the oxime group is particularly significant as it influences the compound's stereochemical properties and potential biological interactions. From a safety perspective, this substance requires careful handling due to its classification under multiple hazard categories including acute toxicity (Class 4), skin sensitization (Category 1), and specific target organ toxicity following repeated exposure (Category 2). The compound also presents environmental concerns with acute and chronic aquatic toxicity classifications, necessitating appropriate containment and disposal procedures. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, agricultural chemical development, and specialized research applications where its unique structural features provide specific reactivity patterns. The compound's complex architecture makes it valuable in medicinal chemistry and crop protection research. OYSI maintains reliable supply chains for this specialized organophosphorus compound, ensuring consistent availability for European industrial and research customers requiring high-quality chemical intermediates.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Acute Tox. 4 *; STOT RE 2 *; Skin Sens. 1; 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.

H373

May cause damage to organs through prolonged or repeated exposure.

H317

May cause an allergic skin reaction.

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 Number2811
ADR Class6.1
Packing GroupIII
Tunnel CodeE
Proper Shipping NameDiethylthiophosphoryl-cis-(2-aminothiazol-4-yl)methoxyiminoacetat
Marine PollutantNo

Frequently Asked Questions

What is diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?

Diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate is an organophosphorus compound with the molecular formula C10H16N3O5PS2 and CAS number 162208-27-7. This chemical substance has a molecular weight of 353.4 g/mol and contains thiazole and phosphinate functional groups. It is classified as hazardous with multiple safety concerns including acute toxicity, skin sensitization, and environmental hazards to aquatic life.

What are the physicochemical properties of diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?

The compound has a molecular formula C10H16N3O5PS2 with a molecular weight of 353.4 g/mol. As an organophosphorus compound containing sulfur and nitrogen heteroatoms, it likely exists as a solid at room temperature. The presence of polar functional groups including phosphinate, thiazole, and oxime moieties suggests moderate to good solubility in polar solvents. Specific physical properties such as melting point, color, and odor would require experimental determination.

What is diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate used for?

This compound is primarily used as an intermediate in pharmaceutical and agrochemical synthesis due to its thiazole and organophosphorus structure. The presence of amino-thiazole moieties makes it valuable in the development of bioactive molecules, particularly for antimicrobial or enzyme inhibition applications. It may also serve as a building block in organic synthesis for creating more complex molecular structures in research and development laboratories.

How to handle diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate safely?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Acute Tox. 4 and Skin Sens. 1 classifications. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and ensure proper hygiene practices including thorough handwashing after handling. Emergency eyewash stations and safety showers should be readily accessible.

How to store diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate correctly?

The compound should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and direct sunlight. Given its organophosphorus nature, keep away from strong oxidizing agents and bases. Storage areas should be equipped with appropriate containment measures and restricted access due to its toxicity classification. Ensure containers are properly labeled and inventory is regularly monitored for degradation or leakage.

What to do in case of contact with diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?

In case of skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 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 the safety data sheet and contact poison control or emergency services when necessary.

How to dispose of diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate appropriately?

Disposal must comply with local and national hazardous waste regulations due to its toxic and environmental hazard classifications. The compound should be collected in appropriate hazardous waste containers and disposed of through licensed waste management facilities. Never dispose of it in regular trash, sewers, or environmental drains due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Consult local environmental authorities for specific disposal requirements and approved disposal methods.

How to transport diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate?

Transportation is regulated under ADR Class 6.1 (Toxic substances) Packing Group III, indicating moderate toxicity requiring specific packaging and labeling requirements. Packages must bear appropriate hazard labels and shipping documentation must include proper shipping names and emergency response information. Only authorized carriers trained in hazardous materials transport should handle shipments. Ensure compliance with international transport regulations including IATA for air transport and IMDG for sea transport.

Is diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate subject to special regulations?

The compound is subject to EU CLP Regulation requiring appropriate classification, labeling, and safety data sheets due to its hazardous properties. It falls under REACH Regulation requiring registration for manufacture or import above tonnage thresholds. While not currently listed as a SVHC (Substance of Very High Concern), its toxic and environmental properties may subject it to future regulatory scrutiny. Users must comply with workplace safety regulations and environmental protection laws.

Where to buy diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional-grade materials to research institutions and industrial customers. As an established chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous substances. Contact OYSI directly for availability, technical specifications, and pricing information. Alternative suppliers may include specialized fine chemical manufacturers, though verification of quality and regulatory compliance is essential.

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Diethoxyphosphinothioyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate 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.