(3-chloro-6-oxopyridazin-1(6H)-yl)acetic acid

Basic Information

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CAS Number

89581-61-3

Molecular Formula

C6H5ClN2O3

Molecular Weight

188.57 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

Basic Physical Properties

SMILES

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C1=CC(=O)N(N=C1Cl)CC(=O)O

InChI

InChI=1S/C6H5ClN2O3/c7-4-1-2-5(10)9(8-4)3-6(11)12/h1-2H,3H2,(H,11,12)

InChIKey

NJHHVYWIVRTAAP-UHFFFAOYSA-N

LogP

-0.01869999999999994

Topological Polar Surface Area

72.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

285

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

2-(3-Chloro-6-oxopyridazin-1(6H)-yl)acetic acid
(3-Chloro-6-oxopyridazin-1(6H)-yl)acetic acid
2-(3-chloro-6-oxopyridazin-1-yl)acetic acid
(3-chloro-6-oxopyridazin-1(6H)-yl)acetic acid(SALTDATA: FREE)
(3-Chloro-6-oxo-6H-pyridazin-1-yl)-acetic acid
3-Chloro-6-oxo-1(6H)-pyridazineacetic acid (ACI)
2-(3-Chloro-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid
2-(3-Chloro-6-oxopyridazin-1-yl)acetic acid
AKOS002685308
MFCD06260675
2-[3-CHLORO-6-OXO-1(6H)-PYRIDAZINYL]ACETIC ACID
(3-Chloro-6-oxopyridazin-1(6H)-yl)acetic acid, AldrichCPR
CS-0260719
[3-chloro-6-oxopyridazin-1(6H)-yl]acetic acid
DA-18617
SCHEMBL1155953
STL163484
(3-chloro-6-oxopyridazin-1(6H)-yl)acetic acid
2-(3-chloro-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid
EN300-7564220
(3-Chloro-6-oxo-1(6H)-pyridazinyl)acetic acid
2-(3-chloro-6-oxopyridazin-1(6H)-yl)aceticacid
NJHHVYWIVRTAAP-UHFFFAOYSA-N
DTXSID20408524
SB39691
89581-61-3
VS-09842
2-(3-chloro-6-oxo-pyridazin-1-yl)acetic Acid
BBL030490
2-(3-chloro-6-oxopyridazin-1(6H)-yl)acetic acid

MDL Number

MFCD06260675

Customs Code

2933990090

FAQ

What are the physical and chemical properties of (3-chloro-6-oxopyridazin-1(6H)-yl)acetic acid (CAS: 89581-61-3)?

(3-chloro-6-oxopyridazin-1(6H)-yl)acetic acid (CAS: 89581-61-3) is a crystalline solid with a molecular weight of approximately 220.58 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and methanol. The compound is moderately reactive, particularly towards nucleophilic substitution reactions. It is stable under normal conditions but should be stored away from moisture and heat.

How is (3-chloro-6-oxopyridazin-1(6H)-yl)acetic acid (CAS: 89581-61-3) typically synthesized?

(3-chloro-6-oxopyridazin-1(6H)-yl)acetic acid (CAS: 89581-61-3) is usually synthesized via the condensation of 3-chloropyridazine with acetic anhydride, followed by hydrolysis. This process requires careful temperature control to ensure the formation of the desired product with high yield and selectivity.

What industries use (3-chloro-6-oxopyridazin-1(6H)-yl)acetic acid (CAS: 89581-61-3)?

(3-chloro-6-oxopyridazin-1(6H)-yl)acetic acid (CAS: 89581-61-3) is primarily used in the pharmaceutical industry for the synthesis of certain drugs due to its unique chemical properties. It may also find applications in the polymer industry for the development of specialized materials and in the sensor technology for its reactivity and stability.

What precautions should be taken when handling (3-chloro-6-oxopyridazin-1(6H)-yl)acetic acid (CAS: 89581-61-3)?

When handling (3-chloro-6-oxopyridazin-1(6H)-yl)acetic acid (CAS: 89581-61-3), it is essential to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from moisture and heat, and all operations should be conducted in a fume hood. In case of a spill, it should be cleaned up immediately following the safety procedures outlined in the Material Safety Data Sheet (MSDS/SDS).