5-amino-4-chloro-2-phenylpyridazin-3-one

C10H8ClN3O

CAS1698-60-8
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
1698-60-8
EC Number
216-920-2
UN Number
3077
Index Number
606-035-00-3
PubChem CID
15546

Physical-chemical properties

Molecular Formula
C10H8ClN3O
Molar Mass
221.64 g/mol
IUPAC Name
5-amino-4-chloro-2-phenylpyridazin-3-one

Chemical Identifiers

InChI
InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
InChI Key
WYKYKTKDBLFHCY-UHFFFAOYSA-N

Overview

5-amino-4-chloro-2-phenylpyridazin-3-one (CAS 1698-60-8) is a chlorinated pyridazinone derivative with selective biological activity and versatile synthetic applications. This specialized heterocyclic compound represents an important class of nitrogen-containing organic molecules widely utilized in pharmaceutical research and chemical synthesis. With its molecular formula C10H8ClN3O and molecular weight of 221.64 g/mol, this pyridazinone derivative exhibits unique structural features that make it valuable for various industrial applications. The presence of both amino and chloro substituents on the pyridazine ring, combined with the phenyl group, provides distinct reactivity patterns that synthetic chemists can exploit for creating more complex molecular structures. From a safety perspective, 5-amino-4-chloro-2-phenylpyridazin-3-one is classified under GHS as a skin sensitizer (Skin Sens. 1) and poses acute and chronic aquatic toxicity risks, requiring appropriate handling protocols and environmental precautions. The compound carries a Warning signal word and is regulated under ADR Class 9 for transportation purposes. Laboratory personnel should implement standard protective measures including appropriate ventilation, personal protective equipment, and waste disposal procedures to ensure safe handling. The compound finds primary applications in pharmaceutical intermediate synthesis, agrochemical development, and specialty chemical manufacturing. Its structural similarity to other heterocyclic compounds like 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine makes it particularly valuable in medicinal chemistry programs focusing on bioactive molecule development. Research applications often leverage its selective reactivity for building libraries of pharmacologically relevant compounds. OYSI maintains reliable supply chains for 5-amino-4-chloro-2-phenylpyridazin-3-one to support European customers' research and production requirements across pharmaceutical and specialty chemical sectors.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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:

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 NameChloridazon (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 5-amino-4-chloro-2-phenylpyridazin-3-one?

5-amino-4-chloro-2-phenylpyridazin-3-one is an organic chemical compound belonging to the pyridazinone family with the molecular formula C10H8ClN3O. This substance has a molecular weight of 221.64 g/mol and is characterized by the presence of amino, chloro, and phenyl functional groups on a pyridazinone ring structure. It is classified as a skin sensitizer and poses environmental hazards to aquatic life.

What are the physicochemical properties of 5-amino-4-chloro-2-phenylpyridazin-3-one?

5-amino-4-chloro-2-phenylpyridazin-3-one is a solid compound at room temperature with a molecular weight of 221.64 g/mol. The presence of amino and chloro substituents affects its polarity and solubility characteristics. Its exact physical appearance, odor, and detailed solubility data depend on purity and crystalline form. The compound's structure suggests moderate polarity due to the combination of polar amino and chloro groups with the aromatic phenyl ring.

What is 5-amino-4-chloro-2-phenylpyridazin-3-one used for?

5-amino-4-chloro-2-phenylpyridazin-3-one is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its pyridazinone structure makes it valuable for developing bioactive compounds, particularly in medicinal chemistry research. The compound serves as a building block for creating more complex molecules with potential therapeutic or agricultural applications. It may also be used in specialized chemical research and development projects requiring this specific molecular framework.

How to handle 5-amino-4-chloro-2-phenylpyridazin-3-one safely?

5-amino-4-chloro-2-phenylpyridazin-3-one must be handled with appropriate personal protective equipment due to its skin sensitization potential. Wear protective gloves, safety glasses, and suitable clothing to prevent skin contact. Ensure adequate ventilation in work areas and avoid creating dust. Use in a well-ventilated area or under a fume hood when possible. The compound requires careful handling to prevent environmental release due to its aquatic toxicity classification.

How to store 5-amino-4-chloro-2-phenylpyridazin-3-one correctly?

5-amino-4-chloro-2-phenylpyridazin-3-one should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture and light. Store away from heat sources and oxidizing agents. The storage area should be equipped with appropriate containment measures to prevent environmental contamination. Follow local regulations for chemical storage and maintain proper inventory records for this regulated substance.

What to do in case of contact with 5-amino-4-chloro-2-phenylpyridazin-3-one?

Immediate action is required if contact occurs with 5-amino-4-chloro-2-phenylpyridazin-3-one due to its skin sensitization properties. For skin contact, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water for 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or if sensitization symptoms develop.

How to dispose of 5-amino-4-chloro-2-phenylpyridazin-3-one properly?

5-amino-4-chloro-2-phenylpyridazin-3-one must be disposed of through authorized hazardous waste disposal facilities due to its environmental classification. The compound cannot be disposed of in regular waste streams due to its aquatic toxicity. Contact licensed waste management companies specializing in chemical disposal. Follow local and national regulations for hazardous waste classification and transport. Ensure proper documentation and tracking of waste disposal activities as required by environmental authorities.

How to transport 5-amino-4-chloro-2-phenylpyridazin-3-one?

5-amino-4-chloro-2-phenylpyridazin-3-one is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Transport must comply with ADR requirements including proper packaging specifications, hazard labels, and transport documentation. Only authorized carriers trained in dangerous goods transport should handle shipments of this substance.

Is 5-amino-4-chloro-2-phenylpyridazin-3-one subject to specific regulations?

5-amino-4-chloro-2-phenylpyridazin-3-one is subject to standard REACH and CLP regulations in Europe but is not currently listed as a Substance of Very High Concern (SVHC). The compound must comply with classification, labeling, and packaging requirements under CLP regulation due to its hazard classification. Users must follow safety data sheet requirements and implement appropriate risk management measures. Registration or notification requirements may apply depending on annual tonnage and intended use.

Where to buy 5-amino-4-chloro-2-phenylpyridazin-3-one in Europe?

5-amino-4-chloro-2-phenylpyridazin-3-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound with appropriate documentation including safety data sheets and certificates of analysis. As a professional chemical distributor, OYSI ensures compliance with European regulations and proper handling procedures. 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.