(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate

C19H23ClN2O2S

CAS55512-33-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 specialized pyridazine derivative compound with sulfanylformate functionality and chlorinated aromatic structure. This organosulfur compound belongs to the pyridazine family and features a complex molecular architecture combining aromatic heterocyclic chemistry with aliphatic sulfanyl chains. With the molecular formula C19H23ClN2O2S and a molecular weight of 378.9 g/mol, this compound exhibits unique chemical properties derived from its chlorinated phenylpyridazine core structure linked to an octylsulfanylformate group. The presence of multiple functional groups including the pyridazine ring, phenyl substituent, chlorine atom, and sulfanyl ester linkage provides distinctive reactivity patterns and application potential. From a safety perspective, this compound requires careful handling protocols as it is classified under several hazard categories including acute toxicity (Category 4), skin irritation (Category 2), and skin sensitization (Category 1). The GHS07 and GHS09 pictograms indicate both health hazards and environmental concerns, particularly regarding aquatic toxicity where it shows both acute and chronic effects on aquatic organisms. Transportation falls under ADR Class 9 miscellaneous dangerous goods, requiring appropriate packaging and documentation. Industrial applications typically involve its use as a specialized intermediate in pharmaceutical synthesis and as a building block in agrochemical development. The compound's structural similarity to other complex organic molecules like triphenyl phosphite makes it valuable in specialized chemical transformations and materials science applications. Its unique combination of aromatic heterocyclic and sulfanyl functionalities provides opportunities in advanced material synthesis and specialty chemical manufacturing. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for European industrial and research applications.

Safety & Classification

Warning
Classification:

Acute Tox. 4; Skin Irrit. 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H315

Causes skin irritation.

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

Irritant

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NamePyridat (ISO)
Marine PollutantNo

Frequently Asked Questions

What is (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate?

(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate is an organosulfur chemical compound with the molecular formula C19H23ClN2O2S and CAS number 55512-33-9. This pyridazine derivative features a chlorinated aromatic ring system with an octyl sulfanylformate side chain. With a molecular weight of 378.9 g/mol, it is classified as a moderately hazardous substance requiring appropriate safety precautions during handling and storage.

What are the physicochemical properties of (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate?

(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate is a complex organic molecule with a molecular weight of 378.9 g/mol and formula C19H23ClN2O2S. The compound contains chlorine, nitrogen, sulfur, and oxygen heteroatoms within its structure. As a pyridazine derivative with a long alkyl chain, it likely exhibits moderate to low water solubility and may appear as a solid or viscous liquid at room temperature, though specific physical properties require analytical confirmation.

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 research applications. Its pyridazine core structure makes it valuable for developing bioactive compounds, particularly in pesticide formulations or drug discovery programs. The compound may also serve as a building block for synthesizing more complex molecules in specialized chemical manufacturing processes requiring sulfur-containing heterocyclic compounds.

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 toxicity and skin sensitization properties. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid direct skin and eye contact, and never eat, drink, or smoke while handling. Wash hands thoroughly after use and follow proper decontamination procedures.

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. Keep containers properly labeled and segregated from food, feed, and drinking water. Due to its aquatic toxicity classification, ensure secondary containment to prevent environmental release. Store away from strong oxidizers, acids, and bases that could react with the sulfur-containing functional groups.

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. For skin contact, immediately remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention immediately. Always consult safety data sheets for complete emergency procedures.

How to dispose of (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate properly?

(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate must be disposed of through licensed hazardous waste disposal facilities due to its acute toxicity and aquatic toxicity classifications. Never discharge into sewers, waterways, or soil as it poses significant environmental risks. Consult local environmental regulations and waste management authorities for specific disposal requirements. Contaminated packaging should also be treated as hazardous waste and disposed of according to applicable regulations and safety data sheet instructions.

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 goods), Packing Group III for transport purposes. This classification indicates it presents a lower degree of danger during transport but still requires proper packaging, labeling, and documentation according to dangerous goods regulations. Ensure containers are properly sealed, labeled with appropriate hazard markings, and accompanied by proper shipping papers and emergency response information during transportation.

Is (6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate subject to special regulations?

(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate is subject to standard European chemical regulations including REACH and CLP classifications. It is not currently listed as a Substance of Very High Concern (SVHC), but must comply with standard registration, notification, and safety requirements. Users must follow proper classification, labeling, and safety data sheet provisions. Due to its aquatic toxicity, it may be subject to additional environmental protection measures and discharge restrictions in various jurisdictions.

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 and intermediates. OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance for research and industrial applications. As a professional chemical supplier, OYSI ensures quality standards and proper handling procedures for delivery throughout Europe. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements.

Data Sources

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