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 notable pharmaceutical intermediate properties and significant environmental considerations. This specialized heterocyclic compound represents an important class of nitrogen-containing organic molecules characterized by its pyridazinone core structure. With a molecular formula of C10H8ClN3O and molecular weight of 221.64 g/mol, this substance exhibits the characteristic properties of substituted pyridazines, which are valuable building blocks in medicinal chemistry and fine chemical synthesis. The presence of both amino and chloro substituents on the pyridazine ring, combined with the phenyl group attachment, provides unique reactivity patterns that make it particularly useful in synthetic organic chemistry applications. From a safety perspective, 5-amino-4-chloro-2-phenylpyridazin-3-one requires careful handling protocols due to its classification as a skin sensitizer (Skin Sens. 1) and its acute and chronic aquatic toxicity profile. The compound carries GHS07 and GHS09 pictograms with a "Warning" signal word, indicating moderate health hazards and significant environmental concerns. These properties are not uncommon among chlorinated aromatic compounds, similar to other pharmaceutical intermediates in this chemical family. Primary industrial applications include pharmaceutical intermediate synthesis, particularly in the development of therapeutic compounds where the pyridazinone scaffold serves as a key structural element. The compound also finds use in agrochemical research and specialty chemical manufacturing, where its unique substitution pattern enables specific molecular transformations. Related compounds such as 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine share similar applications in pharmaceutical synthesis, demonstrating the broader utility of substituted nitrogen heterocycles in medicinal chemistry. OYSI maintains reliable supplies of 5-amino-4-chloro-2-phenylpyridazin-3-one to support European pharmaceutical and chemical manufacturing requirements.

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 a synthetic organic compound belonging to the pyridazinone family with CAS number 1698-60-8. This chemical features a pyridazinone core structure substituted with amino, chloro, and phenyl groups. With a molecular formula of C10H8ClN3O and molecular weight of 221.64 g/mol, 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 organic compound with a molecular weight of 221.64 g/mol and molecular formula C10H8ClN3O. The compound contains multiple functional groups including amino, chloro, and carbonyl moieties within a heterocyclic structure. Its exact physical appearance, solubility, and melting point require specific analytical characterization for detailed specifications.

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, though specific end-use applications depend on further chemical modifications.

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

5-amino-4-chloro-2-phenylpyridazin-3-one requires careful handling due to its skin sensitization properties (Skin Sens. 1). Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation in work areas and avoid direct skin contact. Follow standard chemical handling procedures, maintain good hygiene practices, and have emergency washing facilities readily available.

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. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), ensure storage areas have appropriate containment measures to prevent environmental release. Store away from oxidizing agents and strong acids or bases.

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

In case of skin contact with 5-amino-4-chloro-2-phenylpyridazin-3-one, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air. Seek medical attention if irritation persists or symptoms develop, especially given its skin sensitization properties.

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 according to local and national environmental regulations due to its aquatic toxicity classification. Contact licensed waste disposal companies for proper handling and treatment. Do not discharge to sewers, waterways, or soil. Incineration at authorized facilities may be appropriate for small quantities, but always consult with waste management professionals for compliant disposal methods.

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 transport purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Use UN-specification packaging and ensure proper hazard labels are affixed. Transport documentation must include the correct shipping name and hazard class information.

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

5-amino-4-chloro-2-phenylpyridazin-3-one is subject to CLP regulation classification as Skin Sens. 1, Aquatic Acute 1, and Aquatic Chronic 1, requiring appropriate labeling with Warning signal word and GHS07/GHS09 pictograms. It is not currently listed as a SVHC under REACH regulation. Companies must comply with standard chemical registration, notification, and safety data sheet requirements within the EU regulatory framework.

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 European distributor of specialty chemicals. OYSI provides this compound to pharmaceutical, research, and industrial customers across Europe with proper documentation and regulatory compliance. Contact OYSI directly for availability, specifications, and ordering information. Ensure your application complies with local regulations before purchasing this sensitizing and environmentally hazardous substance.

Data Sources

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