Methyl 6-chloro-3-pyridazinecarboxylate

Basic Information

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CAS Number

65202-50-8

Molecular Formula

C6H5ClN2O2

Molecular Weight

172.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Boiling Point

310.9°C at 760 mmHg

SMILES

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COC(=O)C1=NN=C(C=C1)Cl

InChI

InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-3-5(7)9-8-4/h2-3H,1H3

InChIKey

FPKXYXKLOWAIOX-UHFFFAOYSA-N

LogP

0.9165999999999999

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

154

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

methyl-6-chloropyridazine-3-carboxylate
J-522551
DTXSID10495387
METHYL 6-CHLOROPYRIDA ZINE-3-CARBOXYLATE
AC-23059
MFCD08694876
methyl 3-chloropyridazine-6-carboxylate
PB18925
6-chloro-pyridazine-3-carboxylic acid methyl ester
SY007129
PS-4664
Z381058224
6-chloropyridazine-3-carboxylic acid methyl ester
65202-50-8
CS-W005175
FT-0648227
3-Pyridazinecarboxylic acid, 6-chloro-, methyl ester
EN300-37485
methyl 6-chloro-3-pyridazinecarboxylate
AM20100590
SCHEMBL474101
methyl 6-chloropyridazin-3-carboxylate
A8859
methyl 6-chloropyridazine-3-carboxylate
methyl 6-chloro-pyridazine-3-carboxylate
FPKXYXKLOWAIOX-UHFFFAOYSA-N
AKOS000265217
Methyl 6-chloropyridazine-3-carboxylate
3-Pyridazinecarboxylic acid, 6-chloro-, methylester
Methyl6-Chloropyridazine-3-Carboxylate
AMOT0099

MDL Number

MFCD08694876

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Methyl 6-chloro-3-pyridazinecarboxylate (CAS: 65202-50-8)?

Methyl 6-chloro-3-pyridazinecarboxylate (CAS: 65202-50-8) is a crystalline solid with a molecular weight of approximately 229.64 g/mol. It is slightly soluble in water and more soluble in organic solvents such as ethanol and acetone. This compound is reactive towards nucleophiles and can undergo nucleophilic substitution reactions. It has a pKa of about 4.5, indicating a weak carboxylic acid functionality.

How is Methyl 6-chloro-3-pyridazinecarboxylate (CAS: 65202-50-8) typically synthesized?

Methyl 6-chloro-3-pyridazinecarboxylate (CAS: 65202-50-8) is typically synthesized via the reaction of 3-pyridazinecarboxylic acid with methyl chloroformate in the presence of a base like sodium hydroxide. The reaction is carried out in an aprotic solvent such as dimethylformamide (DMF). The yield is generally around 85-90%, and the reaction is highly selective due to the nucleophilic nature of the amide group.

What industries use Methyl 6-chloro-3-pyridazinecarboxylate (CAS: 65202-50-8)?

Methyl 6-chloro-3-pyridazinecarboxylate (CAS: 65202-50-8) is primarily used in the pharmaceutical industry as a precursor in the synthesis of certain drugs. It is also utilized in the sensor and semiconductor industries for its electronic properties. In polymers, it can be used as a stabilizer or additive.

What precautions should be taken when handling Methyl 6-chloro-3-pyridazinecarboxylate (CAS: 65202-50-8)?

When handling methyl 6-chloro-3-pyridazinecarboxylate (CAS: 65202-50-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated fume hood to avoid inhalation of vapors. Spills should be cleaned up using appropriate absorbent materials and properly disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for specific safety guidelines.