Ethyl 3,5-dichlorobenzoate

Basic Information

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CAS Number

91085-56-2

Molecular Formula

C9H8Cl2O2

Molecular Weight

219.07 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

289℃ at 760 mmHg

SMILES

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

InChI

InChI=1S/C9H8Cl2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3

InChIKey

JRLNLVFPSMDPLU-UHFFFAOYSA-N

LogP

3.1701000000000015

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

175

Safety Information

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Hazard Statement

Synonyms & References

English

Ethyl 3,5-dichlorobenzoate
Ethyl 3,5-dichlorobenzoate
ethyl3,5-dichlorobenzoate
Benzoic acid, 3,5-dichloro-, ethyl ester
3,5-dichlorobenzoic acid ethyl ester
RARECHEM AL BI 0057
PubChem10323
Ethyl 3,5-Dichloro Benzoate
JRLNLVFPSMDPLU-UHFFFAOYSA-N
ethyl 3,5-bis(chloranyl)benzoate
SBB095707
KM2973
3,5-Dichloro-benzoic acid ethyl ester
VZ32080
AS02909
SY047602
A843718
3,5-Dichlorobenzoic acid ethyl ester
DB-031963
MFCD00221467
91085-56-2
ethyl 3,5-dichlorobenzoate
AKOS008947838
CS-0151780
SCHEMBL2662880
DTXSID50371338
PS-7891
AC2308

MDL Number

MFCD00221467

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Ethyl 3,5-dichlorobenzoate (CAS: 91085-56-2)?

Ethyl 3,5-dichlorobenzoate (CAS: 91085-56-2) is a crystalline compound with a high melting point. Its molecular weight is approximately 228.04 g/mol. It has limited solubility in water but is more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong bases and reducing agents. It is used in the synthesis of other compounds due to its functional groups.

How is Ethyl 3,5-dichlorobenzoate (CAS: 91085-56-2) typically synthesized?

Ethyl 3,5-dichlorobenzoate (CAS: 91085-56-2) is typically synthesized via the reaction of 3,5-dichlorobenzoic acid with ethyl bromide in the presence of a base such as potassium carbonate. The process involves esterification, and the yield can be around 85-90%. The reaction is conducted at room temperature and under mild conditions to ensure selectivity and high purity.

What industries use Ethyl 3,5-dichlorobenzoate (CAS: 91085-56-2)?

Ethyl 3,5-dichlorobenzoate (CAS: 91085-56-2) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also utilized in the polymer industry for modifying properties of polymers and in the sensor industry for developing specialized chemical sensors. Its use in semiconductor production is also notable due to its electronic properties.

What precautions should be taken when handling Ethyl 3,5-dichlorobenzoate (CAS: 91085-56-2)?

When handling Ethyl 3,5-dichlorobenzoate (CAS: 91085-56-2), appropriate personal protective equipment (PPE) should be worn, including gloves, lab coat, and safety goggles. Work in a well-ventilated area or a fume hood is recommended to avoid inhalation of vapors. Spills should be handled with care using appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.