Ethyl 2-chloronicotinate

Basic Information

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CAS Number

1452-94-4

Molecular Formula

C8H8ClNO2

Molecular Weight

185.61 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

Melting Point

68 C

Boiling Point

78 ºC (0.1 mmHg)

Flash Point

108.1℃

Refractive Index

1.5210-1.5250

SMILES

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CCOC(=O)C1=C(N=CC=C1)Cl

InChI

InChI=1S/C8H8ClNO2/c1-2-12-8(11)6-4-3-5-10-7(6)9/h3-5H,2H2,1H3

InChIKey

PMIMPBYTPPRBGD-UHFFFAOYSA-N

LogP

1.9117

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

163

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

NS00124409
HY-W016216
SCHEMBL49913
AM20050817
BCP23392
ethyl chloronicotinate
MFCD00674129
PS-4615
3-Pyridinecarboxylic acid, 2-chloro-, ethyl ester
AC-14189
2-Chloro-(3-pyridinecarboxylic acid) ethyl ester
EN300-35343
SB52288
AKOS000121098
FD9099
Flunixin meglumine impurity C [EP]
Flunixin impurity C
UNII-7C4MMV3FW4
ethyl 2-chloro-nicotinate
Ethyl chloronicotinate [USP]
FLUNIXIN MEGLUMINE IMPURITY C [EP IMPURITY]
STR07620
CS-W016932
DTXSID20383842
2-chloro-pyridine-3-carboxylic acid ethyl ester
1452-94-4
Ethyl 2-Chloro-3-pyridinecarboxylate
2-chloro nicotinic acid ethyl ester
Z53834299
ethyl 2-chloronicotinate
FT-0611661

MDL Number

MFCD00674129

Customs Code

2933399090

FAQ

What is Ethyl 2-chloronicotinate (CAS: 1452-94-4)?

Ethyl 2-chloronicotinate (CAS: 1452-94-4) is an organic compound with the molecular formula C8H7ClNO2. It is a derivative of nicotinic acid and contains an ethyl group attached to the nitrogen atom. This compound is colorless or slightly yellow and is soluble in water and ethanol.

What are the main uses of Ethyl 2-chloronicotinate (CAS: 1452-94-4)?

Ethyl 2-chloronicotinate (CAS: 1452-94-4) is primarily used in pharmaceuticals as an intermediate in the synthesis of other compounds. It is also used in industrial applications for the production of dyes and pigments. Additionally, it has potential use in research for studying bioavailability and pharmacokinetics.

Is Ethyl 2-chloronicotinate (CAS: 1452-94-4) safe?

Ethyl 2-chloronicotinate (CAS: 1452-94-4) is generally considered safe under proper handling. However, it is important to follow all safety guidelines, including wearing appropriate personal protective equipment (PPE) such as gloves and goggles. It is flammable and can react with strong bases, so avoid contact with these substances and store in a cool, well-ventilated area.

How should Ethyl 2-chloronicotinate (CAS: 1452-94-4) be stored?

Ethyl 2-chloronicotinate (CAS: 1452-94-4) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and light exposure. The storage area should be well-ventilated to avoid the risk of flammability. Avoid storing it near strong bases or other reactive chemicals.