3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid

Basic Information

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CAS Number

1110767-89-9

Molecular Formula

C13H12Cl2O4

Molecular Weight

303.14 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

SMILES

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CCOC(=O)/C(=C/c1c(Cl)cc(cc1Cl)C(=O)O)/C

InChI

InChI=1S/C13H12Cl2O4/c1-3-19-13(18)7(2)4-9-10(14)5-8(12(16)17)6-11(9)15/h4-6H,3H2,1-2H3,(H,16,17)/b7-4+

InChIKey

YHVIKIKTANFPCN-QPJJXVBHSA-N

LogP

3.658000000000002

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

(E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid
(E)-3,5-dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)benzoic acid
3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid

MDL Number

MFCD29918463

FAQ

What is 3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid (CAS: 1110767-89-9)?

3,5-Dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid is a complex aromatic compound with a specific structure. It contains a benzene ring with substituents including dichlorine, an ethoxy group, and a methyl group attached to a double-bonded propenyl group. This compound is not commonly found in natural substances and is primarily used in pharmaceuticals and chemical research.

What are the main uses of 3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid (CAS: 1110767-89-9)?

3,5-Dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid is used in the synthesis of pharmaceuticals, particularly in the development of drugs that require specific chemical structures. It is also used in research for its unique chemical properties and in the production of intermediates for other chemical compounds.

Is 3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid (CAS: 1110767-89-9) safe?

Safety of 3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid depends on the specific application and handling conditions. It is important to follow all safety guidelines, including wearing appropriate personal protective equipment, using proper ventilation, and storing the compound in a secure, labeled container away from incompatible materials. Exposure to this compound should be minimized and exposure routes such as inhalation, ingestion, and skin contact should be avoided.

How should 3,5-dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid (CAS: 1110767-89-9) be stored?

3,5-Dichloro-4-[(1E)-3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl]benzoic acid should be stored in a cool, dry place, away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent moisture absorption. The storage area should be well ventilated and access should be restricted. It is important to follow all safety and storage guidelines to prevent degradation and ensure safety during handling.