(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate
C19H23ClN2O2S
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Identification
- CAS Number
- 55512-33-9
- EC Number
- 259-686-7
- UN Number
- 3077
- Index Number
- 607-232-00-7
- PubChem CID
- 41463
Physical-chemical properties
- Molecular Formula
- C19H23ClN2O2S
- Molar Mass
- 378.90 g/mol
- IUPAC Name
- (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate
Chemical Identifiers
- InChI
- InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3
- InChI Key
- JTZCTMAVMHRNTR-UHFFFAOYSA-N
Overview
(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate (CAS 55512-33-9) is a chlorinated pyridazine derivative with sulfanylformate functionality and molecular formula C19H23ClN2O2S. This specialized organic compound belongs to the pyridazine family of heterocyclic chemicals, featuring a distinctive combination of aromatic rings, chlorine substitution, and an octylsulfanylformate side chain. With a molecular weight of 378.9 g/mol, this substance exhibits specific chemical properties that make it valuable for various industrial applications requiring selective reactivity and stability characteristics. The compound's safety profile requires careful handling protocols, as it is classified under multiple hazard categories including acute toxicity (Category 4), skin irritation (Category 2), and skin sensitization (Category 1). Environmental considerations are particularly important, with classifications for aquatic acute and chronic toxicity (Category 1), reflecting its potential impact on aquatic ecosystems. The GHS07 and GHS09 pictograms, along with the "Warning" signal word, indicate the need for appropriate personal protective equipment and containment measures during handling and storage. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, where its pyridazine core structure provides a valuable building block for drug development. The compound also finds application in agrochemical manufacturing and specialty chemical synthesis, where its unique reactivity profile offers advantages over simpler alternatives like triphenyl phosphite in certain reaction pathways. The substance's ADR Class 9 classification facilitates safe transportation under miscellaneous dangerous goods regulations, ensuring proper logistics management throughout the supply chain. OYSI maintains reliable supply channels for (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate, supporting European customers with technical-grade material for specialized chemical manufacturing applications.
Safety & Classification
Acute Tox. 4; Skin Irrit. 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
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
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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Pyridat (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate?
(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate is a synthetic organic compound with the molecular formula C19H23ClN2O2S and CAS number 55512-33-9. This chlorinated pyridazine derivative features a phenyl ring and an octylsulfanyl formate group, resulting in a molecular weight of 378.9 g/mol. The compound is classified as moderately hazardous with acute toxicity, skin irritation, and aquatic toxicity properties, requiring careful handling in industrial applications.
What are the physicochemical properties of (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate?
(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate exhibits specific physicochemical characteristics due to its complex molecular structure containing chlorine, nitrogen, sulfur, and oxygen atoms. The compound has a molecular weight of 378.9 g/mol and contains both hydrophobic (octyl chain, phenyl ring) and polar functional groups, influencing its solubility profile. As a class 9 ADR substance, it likely exists as a stable solid or viscous liquid under normal conditions.
What is (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate used for?
(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its pyridazine core structure makes it valuable for developing bioactive compounds, while the octylsulfanyl formate group provides specific reactivity for chemical transformations. The compound may also serve as a research chemical for studying heterocyclic chemistry and as a building block for more complex molecular structures in medicinal chemistry applications.
How to handle (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate safely?
(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate requires careful handling due to its Acute Tox. 4, Skin Irrit. 2, and Skin Sens. 1 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume extraction to avoid inhalation. The compound carries Warning signal word and GHS07 pictogram, indicating moderate hazard levels requiring standard laboratory safety protocols.
How to store (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate correctly?
(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Due to its Aquatic Acute 1 and Chronic 1 classification, prevent environmental release and store away from water sources. Keep containers properly labeled and segregated from food, feed, and household products. Storage areas should have appropriate spill containment measures and restricted access.
What to do in case of contact with (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate?
Immediate action is required upon contact with (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate due to its skin irritant and sensitizing properties. For skin contact, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush with clean water for 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or sensitization symptoms develop.
How to dispose of (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate appropriately?
(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate must be disposed of as hazardous waste due to its toxicity and environmental hazard classifications (Aquatic Acute 1, Aquatic Chronic 1). Never discharge into sewers, waterways, or soil. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small quantities should be collected in appropriate containers and labeled for waste collection. Follow local, national, and EU waste regulations including the Waste Framework Directive.
How to transport (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate?
(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation purposes. This classification requires appropriate UN-specification packaging, proper marking and labeling with Class 9 hazard labels. Transport documents must include the correct shipping name and UN number. Vehicles must carry appropriate emergency equipment, and drivers require ADR training certification for Class 9 substances.
Is (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate subject to specific regulations?
(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate is subject to EU REACH regulation requiring registration for manufacture or import above 1 tonne annually. The compound is not currently listed as SVHC (Substance of Very High Concern). It must be classified and labeled according to CLP regulation with Warning signal word and GHS07, GHS09 pictograms. Transport is regulated under ADR as Class 9 substance, and environmental regulations apply due to its aquatic toxicity.
Where to buy (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate in Europe?
(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across the continent. OYSI provides this compound with appropriate safety documentation, certificates of analysis, and regulatory compliance support. As a professional chemical distributor, OYSI ensures proper packaging, labeling, and transportation according to ADR Class 9 requirements while maintaining high quality standards for laboratory and industrial applications.
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(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate 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.