Methyl 5-chloro-2-hydroxybenzoate

Basic Information

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CAS Number

4068-78-4

Molecular Formula

C8H7ClO3

Molecular Weight

186.59 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

Melting Point

46-50 °C

Boiling Point

260.5°C at 760 mmHg

Flash Point

>230 °F

Refractive Index

1.5250 (estimate)

SMILES

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

InChI

InChI=1S/C8H7ClO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3

InChIKey

KJWHRMZKJXOWFC-UHFFFAOYSA-N

LogP

1.8321999999999998

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

172

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

methyl-5-chloro-2-hydroxybenzoate
NS00030832
Methyl5-chloro-2-hydroxybenzoate
DTXSID5063283
F3308-3665
MFCD00016461
M84L29Z8QR
UNII-M84L29Z8QR
CHEBI:194865
SY061734
Benzoic acid, 5-chloro-2-hydroxy-, methyl ester
NSC85495
Methyl 5-chlorosalicylate
Salicylic acid, 5-chloro-, methyl ester
CS-W023093
AN-652/43414006
Methyl 5-chloro-2-hydroxybenzoate
NSC-85495
Methyl 5-chloro-2-hydroxyebenzoate
EINECS 223-778-5
methyl-5-chloro-salicylate
methyl 5-chloro-salicylate
Methyl 5-chlorosalicylate, 97%
5-Chloro-2-hydroxy-benzoic acid methyl ester
AKOS000504162
2-Hydroxy-5-chlorobenzoic acid methyl ester
AM86951
FT-0628675
Z18532286
NSC 85495
Methyl-5-Chloro-2-hydroxylbenzoate

MDL Number

MFCD00016461

Customs Code

2918290000

FAQ

What are the physical and chemical properties of Methyl 5-chloro-2-hydroxybenzoate (CAS: 4068-78-4)?

Methyl 5-chloro-2-hydroxybenzoate is a crystalline compound with a molecular weight of approximately 210.59 g/mol. It has a solubility of about 0.6 g/L in water and is slightly soluble in ethanol. This compound exhibits moderate reactivity towards nucleophiles and electrophiles. It is stable under normal conditions but should be protected from moisture and heat.

How is Methyl 5-chloro-2-hydroxybenzoate (CAS: 4068-78-4) typically synthesized?

Methyl 5-chloro-2-hydroxybenzoate is commonly synthesized via the esterification of 5-chloro-2-hydroxybenzoic acid with methanol. The reaction is typically catalyzed by an acid like sulfuric acid and proceeds under mild conditions to give a high yield of around 90%. Selectivity and purity can be enhanced by employing appropriate purification techniques.

What industries use Methyl 5-chloro-2-hydroxybenzoate (CAS: 4068-78-4)?

Methyl 5-chloro-2-hydroxybenzoate is used in various industries, including pharmaceuticals for the synthesis of certain drugs, and in the production of polymers for their functional properties. It is also utilized in the development of sensors and as a chemical intermediate in semiconductor manufacturing processes.

What precautions should be taken when handling Methyl 5-chloro-2-hydroxybenzoate (CAS: 4068-78-4)?

When handling Methyl 5-chloro-2-hydroxybenzoate, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from heat and moisture. In case of a spill, it should be cleaned up with appropriate safety measures, and the area should be well ventilated. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.