4-Chlorobutyl 3,4-dimethoxybenzoate

Basic Information

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CAS Number

69788-75-6

Molecular Formula

C13H17ClO4

Molecular Weight

272.73 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

386 ºC

Density

1.154

Flash Point

151 ºC

SMILES

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COC1=C(C=C(C=C1)C(=O)OCCCCCl)OC

InChI

InChI=1S/C13H17ClO4/c1-16-11-6-5-10(9-12(11)17-2)13(15)18-8-4-3-7-14/h5-6,9H,3-4,7-8H2,1-2H3

InChIKey

VDKIZIBOFDIQRW-UHFFFAOYSA-N

LogP

2.8796000000000017

Topological Polar Surface Area

44.760000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

247

Synonyms & References

English

4-Chlorobutyl 3,4-dimethoxybenzoate
69788-75-6
MEBEVERINE HYDROCHLORIDE IMPURITY E [EP IMPURITY]
Veratric Acid 4-Chlorobutyl Ester
J-515146
A866748
4-Chlorobutyl3,4-dimethoxybenzoate
DTXSID70511279
SCHEMBL11493970
UNII-P793VS3C3D
NS00022708
Benzoic acid, 3,4-dimethoxy-, 4-chlorobutyl ester
AKOS015999531
P793VS3C3D
EC 410-950-1
4-chlorobutyl veratrate
Benzoic acid,3,4-dimethoxy-, 4-chlorobutyl ester
AK-93585
ANW-53327
CTK8B6354
KB-241756
3,4-Dimethoxybenzoic acid 4-chlorobutyl ester

MDL Number

MFCD22380643

FAQ

What is 4-Chlorobutyl 3,4-dimethoxybenzoate (CAS: 69788-75-6)?

4-Chlorobutyl 3,4-dimethoxybenzoate (CAS: 69788-75-6) is an organic compound with the molecular formula C13H13ClO3. It is characterized by its chlorobenzene, methoxybenzene, and butyl substituents. This compound is commonly used in pharmaceuticals and research as an intermediate or precursor in the synthesis of other compounds.

What are the main uses of 4-Chlorobutyl 3,4-dimethoxybenzoate (CAS: 69788-75-6)?

4-Chlorobutyl 3,4-dimethoxybenzoate (CAS: 69788-75-6) is primarily used as an intermediate in the pharmaceutical industry for the synthesis of various drug compounds. It is also utilized in research settings for developing new chemicals and materials. Its uses include applications in the production of dyes, plasticizers, and other organic synthetic intermediates.

Is 4-Chlorobutyl 3,4-dimethoxybenzoate (CAS: 69788-75-6) safe?

4-Chlorobutyl 3,4-dimethoxybenzoate (CAS: 69788-75-6) can be handled safely with appropriate precautions. It is important to follow recommended safety guidelines, such as wearing personal protective equipment (PPE) and storing it in a dry, well-ventilated area. Proper disposal should be carried out in accordance with local regulations to minimize environmental impact.

How should 4-Chlorobutyl 3,4-dimethoxybenzoate (CAS: 69788-75-6) be stored?

4-Chlorobutyl 3,4-dimethoxybenzoate (CAS: 69788-75-6) should be stored in a cool, dry place, away from direct sunlight and heat. It is recommended to keep it in a tightly sealed container to prevent moisture absorption. Storage at temperatures below 25°C is advised to ensure stability and safety.