4-Bromo-6-chloropyridazin-3(2H)-one

Basic Information

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CAS Number

933041-13-5

Molecular Formula

C4H2BrClN2O

Molecular Weight

209.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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C1=C(C(=O)NN=C1Cl)Br

InChI

InChI=1S/C4H2BrClN2O/c5-2-1-3(6)7-8-4(2)9/h1H,(H,8,9)

InChIKey

YUPQAGSTMGZXNO-UHFFFAOYSA-N

LogP

1.1858

Topological Polar Surface Area

45.75 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

211

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

4-Bromo-6-chloropyridazin-3(2H)-one
5-bromo-3-chloro-1H-pyridazin-6-one
4-Bromo-6-chloropyridazin-3-ol
4-bromo-6-chloro-2H-pyridazin-3-one
YUPQAGSTMGZXNO-UHFFFAOYSA-N
5794AC
4-bromo-6-chloro-pyridazin-3(2H)-one
SY114587
4-Bromo-6-chloro-3(2H)-pyridazinone (ACI)
4-bromo-6-chloro-2,3-dihydropyridazin-3-one
G10837
SCHEMBL23037189
EN300-117517
SCHEMBL163551
DTXSID50468994
CS-W006982
933041-13-5
MFCD21364604
AS-10362
AKOS016007315

MDL Number

MFCD21364604

FAQ

What are the physical and chemical properties of 4-Bromo-6-chloropyridazin-3(2H)-one (CAS: 933041-13-5)?

4-Bromo-6-chloropyridazin-3(2H)-one is a crystalline solid with a molecular weight of approximately 233.03 g/mol. It has a high melting point of around 250°C and is slightly soluble in water. The compound is known for its reactivity, particularly towards nucleophilic substitution reactions. It is a potent electrophile in organic synthesis, facilitating various functional group transformations.

How is 4-Bromo-6-chloropyridazin-3(2H)-one (CAS: 933041-13-5) typically synthesized?

4-Bromo-6-chloropyridazin-3(2H)-one is synthesized through a two-step process involving the bromination of 6-chloropyridazin-3(2H)-one followed by further modification. Commonly, this is achieved using N-bromosuccinimide (NBS) as a brominating agent in the presence of a radical initiator like AIBN. The reaction is carried out in an inert solvent such as dichloromethane (DCM) under UV light or heat, with high selectivity and good yield.

What industries use 4-Bromo-6-chloropyridazin-3(2H)-one (CAS: 933041-13-5)?

4-Bromo-6-chloropyridazin-3(2H)-one is used primarily in the pharmaceutical industry for the development of novel drugs. It also finds applications in the synthesis of polymers, where it can serve as a monomer or intermediate. Additionally, it is used in the production of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling 4-Bromo-6-chloropyridazin-3(2H)-one (CAS: 933041-13-5)?

When handling 4-Bromo-6-chloropyridazin-3(2H)-one, appropriate personal protective equipment (PPE) is essential, including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be managed carefully using appropriate absorbent materials. The material safety data sheet (MSDS) or safety data sheet (SDS) should be consulted for detailed safety information and emergency procedures.