(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane
C9H17ClN3O3PS
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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 triazole functionality and potent biological activity. This specialized chemical compound, with the molecular formula C9H17ClN3O3PS and a molecular weight of 313.74 g/mol, represents a significant class of organophosphorus derivatives containing both triazole and phosphorothioate structural elements. The molecule features a chlorinated triazole ring system linked to an isopropyl group, combined with a diethoxyphosphorothioate moiety, creating a compound with distinctive chemical properties and biological activities. The substance exhibits considerable toxicity profiles, classified under multiple acute toxicity categories (Acute Tox. 2 and 3) with potential for specific target organ toxicity following repeated exposure (STOT RE 2). Additionally, it demonstrates skin sensitization properties and presents significant aquatic toxicity concerns, reflected in its classification as Aquatic Acute 1. These hazard classifications necessitate the highest level of safety precautions during handling, storage, and transportation, as indicated by the "Danger" signal word and the presence of GHS06 (skull and crossbones), GHS08 (health hazard), and GHS09 (environmental hazard) pictograms. The compound's ADR classification as Class 6.1 (toxic substances) requires specialized transport procedures and documentation. Unlike simpler aromatic compounds such as N-methylaniline, this complex organophosphorus derivative demands enhanced safety protocols due to its multifaceted toxicity profile. Primary industrial applications include specialized pharmaceutical intermediates, agrochemical synthesis, and research applications in organophosphorus chemistry. The compound serves as a valuable building block in the development of biologically active molecules and specialty chemical formulations. OYSI maintains strategic inventory levels of this specialized organophosphorus compound to support European industrial and research requirements.
Safety & Classification
Acute Tox. 2 *; Acute Tox. 3 *; Acute Tox. 3 *; STOT RE 2 *; Skin Sens. 1; Aquatic Acute 1; Aquat...
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
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
Measures if substance contacts the skin
Ingestion
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 Number | 3018 |
| ADR Class | 6.1 |
| Packing Group | II |
| Tunnel Code | D/E |
| Proper Shipping Name | Isazofos (ISO) |
| Marine Pollutant | No |
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 CAS number 42509-80-8. This chemical substance has a molecular formula of C9H17ClN3O3PS and a molecular weight of 313.74 g/mol. It contains a triazole ring system combined with phosphorus functionality, making it a complex heterocyclic compound with specific chemical properties and applications.
What are the physicochemical properties of (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane?
The compound is a complex organophosphorus molecule with molecular formula C9H17ClN3O3PS and molecular weight 313.74 g/mol. Its structure combines a chlorinated triazole ring with diethoxy-phosphate functionality, which influences its solubility and stability characteristics. The presence of both polar (phosphate, triazole) and nonpolar (alkyl chains) groups affects its physicochemical behavior, though specific data on appearance, odor, and solubility would require detailed analysis.
What is (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane used for?
This organophosphorus compound is primarily used in specialized chemical applications where its unique triazole-phosphate structure provides specific functional properties. Given its complex molecular structure combining phosphorus and nitrogen heterocycles, it may serve as an intermediate in pharmaceutical synthesis, agrochemical production, or as a specialty reagent in organic synthesis. Its applications are typically limited to professional industrial settings requiring specialized handling procedures.
How to handle (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane safely?
This substance requires extreme caution due to its Acute Tox. 2 and 3 classifications and skin sensitizing properties. Personnel must wear appropriate PPE including chemical-resistant gloves, eye protection, and respiratory protection. Work should be conducted in well-ventilated areas or fume hoods to prevent inhalation exposure. Given the GHS06 and GHS08 pictograms, avoid skin contact, ingestion, and inhalation. Only trained personnel should handle this material.
How to store (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane correctly?
The compound should be stored in a cool, dry, well-ventilated area away from incompatible materials. Due to its acute toxicity classification, storage must be in a secure location with restricted access and appropriate warning labels. Container integrity should be regularly checked, and the substance should be kept away from heat sources, oxidizing agents, and moisture. Secondary containment is recommended to prevent environmental release given its aquatic toxicity 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 action is critical due to the substance's high acute toxicity. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with plenty of water for 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting. Seek immediate medical attention in all cases, bringing the safety data sheet for medical personnel reference.
How to dispose of (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane appropriately?
This substance requires disposal as hazardous waste through licensed waste management companies due to its acute toxicity and environmental hazard classifications. It cannot be disposed of in regular waste streams or sewage systems given its aquatic toxicity. Disposal must comply with local, national, and EU waste regulations. Empty containers should also be treated as hazardous waste. Documentation and tracking are required throughout the disposal process.
How to transport (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane?
The substance is classified under ADR Class 6.1 (toxic substances), Packing Group II, indicating significant transport restrictions. It requires appropriate UN-specification packaging, hazard labels, and transport documentation. Only qualified personnel and approved carriers can handle the shipment. The transport vehicle must carry appropriate emergency equipment and spillage materials. Shipping documentation must include proper shipping names, hazard classes, and emergency contact information for incidents during transport.
Is (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane subject to special regulations?
This substance is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification obligations. While not currently listed as SVHC, its acute toxicity and environmental hazard classifications impose strict handling, labeling, and reporting requirements. Users must ensure proper risk assessments, safety data sheet distribution, and worker training. Import/export may require additional permits, and workplace exposure limits must be strictly observed where established.
Where to buy (5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane in Europe?
OYSI serves as a specialized European distributor for this complex organophosphorus compound, ensuring proper handling and regulatory compliance throughout the supply chain. As a professional chemical distributor, OYSI provides technical support, safety documentation, and regulatory guidance for industrial customers. Given the substance's hazardous classification, purchases are restricted to qualified industrial users with appropriate facilities and safety protocols. Contact OYSI directly for availability, specifications, and technical consultation.
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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.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.