(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane

C9H17ClN3O3PS

CAS42509-80-8
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
42509-80-8
EC Number
255-863-8
UN Number
3018
Index Number
015-153-00-9
PubChem CID
39223

Physical-chemical properties

Molecular Formula
C9H17ClN3O3PS
Molar Mass
313.74 g/mol
IUPAC Name
(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane

Chemical Identifiers

InChI
InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3
InChI Key
XRHGWAGWAHHFLF-UHFFFAOYSA-N

Overview

(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane (CAS 42509-80-8) is an organophosphorus compound with insecticidal properties and triazole functionality. This specialized organophosphorus compound represents a unique class of chemical substances that combines triazole ring chemistry with phosphorothioate functionality. With its molecular formula C9H17ClN3O3PS and molecular weight of 313.74 g/mol, this substance exhibits distinctive structural characteristics that make it valuable for specific industrial applications. The compound's IUPAC nomenclature reflects its complex structure, featuring a chlorinated triazole ring system linked to a diethoxy phosphorothioate moiety. The substance is classified under multiple acute toxicity categories (Acute Tox. 2 and Acute Tox. 3) and carries significant safety considerations, including skin sensitization potential and aquatic toxicity hazards. Its classification under ADR Class 6.1 indicates its status as a toxic substance requiring specialized handling and transportation protocols. The GHS pictograms GHS06, GHS08, and GHS09 emphasize the health hazards, organ toxicity risks, and environmental concerns associated with this compound. Industrial applications of this organophosphorus derivative primarily focus on pest control formulations and specialized chemical synthesis processes. The compound's triazole functionality provides enhanced biological activity compared to simpler organophosphorus compounds, making it particularly effective in agricultural chemistry applications. Its structural similarity to other nitrogen-containing compounds like N-methylaniline demonstrates the importance of heterocyclic chemistry in developing bioactive molecules. Professional users must implement appropriate safety measures including adequate ventilation, personal protective equipment, and proper waste disposal procedures when handling this substance. OYSI maintains comprehensive technical documentation and safety data sheets to support safe industrial use of this specialized organophosphorus compound.

Safety & Classification

Danger
Classification:

Acute Tox. 2 *; Acute Tox. 3 *; Acute Tox. 3 *; STOT RE 2 *; Skin Sens. 1; Aquatic Acute 1; Aquat...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H311

Toxic in contact with skin.

H301

Toxic 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

Inhalation

Fatal

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

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 NameIsazofos (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane?

(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane is an organophosphorus compound with the molecular formula C9H17ClN3O3PS and CAS number 42509-80-8. This substance has a molecular weight of 313.74 g/mol and contains a triazole ring system combined with a phosphorus-containing moiety. It is classified as a hazardous chemical requiring careful handling due to its acute toxicity and environmental impact properties.

What are the physicochemical properties of (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane?

(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane is an organophosphorus compound with a molecular weight of 313.74 g/mol. The substance contains chlorine, nitrogen, oxygen, phosphorus, and sulfur atoms within its complex molecular structure. As an organophosphate derivative, it typically exhibits moderate to low water solubility and may be soluble in organic solvents. Specific physical properties such as melting point, boiling point, and appearance would require analytical characterization.

What is (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane used for?

(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane is primarily used as a pesticide active ingredient due to its organophosphate structure combined with a triazole moiety. This combination typically provides both insecticidal and fungicidal properties, making it valuable for agricultural applications and crop protection. The compound may be incorporated into formulated products for professional pest control or agricultural use, requiring appropriate licensing and regulatory compliance.

How to handle (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane safely?

(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane requires strict safety measures due to its Acute Tox. 2 and 3 classifications. Essential PPE includes chemical-resistant gloves, protective clothing, eye protection, and respiratory protection when handling. Work in well-ventilated areas or under fume extraction. Avoid skin contact, inhalation, and ingestion. The substance is also a skin sensitizer (Skin Sens. 1), requiring additional precautions to prevent dermal exposure and allergic reactions.

How to store (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane correctly?

(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane must be stored in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers tightly sealed and upright to prevent spillage. Due to its high acute toxicity (ADR Class 6.1, Group II), storage requires appropriate containment and restricted access. Separate from food, feed, and drinking water. Implement secondary containment measures to prevent environmental release given its Aquatic Acute 1 classification.

What to do in case of contact with (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane?

Immediate medical attention is required for any contact with (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane due to its Acute Tox. 2 classification. For skin contact, remove contaminated clothing and rinse thoroughly with water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek emergency medical care. Always bring the safety data sheet to medical personnel.

How to dispose of (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane properly?

(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane must be disposed of through licensed hazardous waste contractors due to its high toxicity and environmental hazard classifications. The substance cannot be disposed of in regular waste streams or sewage systems given its Aquatic Acute 1 rating. Disposal must comply with local, national, and European waste regulations including the Waste Framework Directive. Empty containers require similar hazardous waste treatment and cannot be reused for other purposes.

How to transport (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane?

(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane is classified under ADR Class 6.1 (Toxic substances), Packing Group II, indicating high toxicity requiring strict transport regulations. Shipments must use appropriate UN-specification packaging, proper labeling with GHS06, GHS08, and GHS09 pictograms, and transport documents. Only certified carriers trained in hazardous materials transport can handle shipments. Special segregation requirements apply to prevent contamination of food products and other incompatible materials during transport.

Is (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane subject to specific regulations?

(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane is subject to multiple regulatory frameworks including REACH registration requirements, CLP classification and labeling regulations, and pesticide-specific legislation. While not currently listed as an SVHC, its high acute toxicity and environmental hazard classifications trigger various restrictions and authorization requirements. Use may be restricted under the Plant Protection Products Regulation (EU) 1107/2009 and Biocidal Products Regulation (EU) 528/2012, requiring professional licensing for handling and application.

Where to buy (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane in Europe?

(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane is available through OYSI, a specialized European distributor of technical chemicals and active pharmaceutical ingredients. OYSI provides comprehensive regulatory support, proper documentation, and safe handling guidance for this highly regulated substance. Due to its pesticide classification and high toxicity, purchases typically require appropriate licensing, end-use declarations, and compliance with professional user requirements. Contact OYSI directly for availability, specifications, and regulatory compliance assistance for your specific application needs.

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(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane 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.