Ethyl 2-chlorobenzoate

Basic Information

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CAS Number

7335-25-3

Molecular Formula

C9H9ClO2

Molecular Weight

184.62 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

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

243°C

Density

1.1910

Flash Point

>230 °F

Refractive Index

n20/D 1.523(lit.)

SMILES

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CCOC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C9H9ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3

InChIKey

RETLCWPMLJPOTP-UHFFFAOYSA-N

LogP

2.516700000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

159

Synonyms & References

English

EINECS 230-842-6
2-Chlorobenzoic Acid Ethyl Ester
MFCD00016338
7335-25-3
SCHEMBL406428
DS-4847
NS00037505
DTXSID60223596
2-Chlorobenzoic acid, ethyl ester
SY048209
C1671
Benzoic acid, 2-chloro-, ethyl ester
W-104455
AC8527
2-chloro-benzoic acid ethyl ester
CS-W016986
Ethyl 2-chlorobenzoate
FT-0611914
AKOS004911153
Ethyl O-chlorobenzoate
A837802
ethyl 2-chloranylbenzoate
AI3-21791
Ethyl-2-chlorobenzoate
EN300-49166
2-Chlorobenzoic acid ethyl ester
RETLCWPMLJPOTP-UHFFFAOYSA-N
PubChem3703
KSC498A5R
chlorobenzoic acid ethyl ester
RARECHEM AL BI 0018

MDL Number

MFCD00016338

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Ethyl 2-chlorobenzoate (CAS: 7335-25-3)?

Ethyl 2-chlorobenzoate (CAS: 7335-25-3) is a crystalline solid with a molecular weight of approximately 190.61 g/mol. It has a solubility of about 3.92 g/100 mL in water. The compound is moderately reactive and may undergo hydrolysis and substitution reactions under certain conditions. It has a melting point of around 67-68°C and a boiling point of about 250°C (decomp).

How is Ethyl 2-chlorobenzoate (CAS: 7335-25-3) typically synthesized?

Ethyl 2-chlorobenzoate (CAS: 7335-25-3) is typically synthesized by reacting benzoic acid with ethyl chloroformate in the presence of a base such as potassium carbonate. The reaction is carried out in an inert solvent like dichloromethane, yielding a high yield of the desired product with good selectivity. The process is conducted under mild conditions to avoid side reactions.

What industries use Ethyl 2-chlorobenzoate (CAS: 7335-25-3)?

Ethyl 2-chlorobenzoate (CAS: 7335-25-3) is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of medicinals. It also finds applications in the production of polymers, sensors, and semiconductors. Its properties make it suitable for use in chemical intermediates and reagents.

What precautions should be taken when handling Ethyl 2-chlorobenzoate (CAS: 7335-25-3)?

When handling Ethyl 2-chlorobenzoate (CAS: 7335-25-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place, away from heat and sources of ignition. In case of a spill, it should be handled using appropriate spill cleanup materials. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.