4-(Acetoxymethyl)-3-bromobenzoic acid

Basic Information

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CAS Number

90772-73-9

Molecular Formula

C10H9BrO4

Molecular Weight

273.08 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

SMILES

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CC(=O)OCC1=C(C=C(C=C1)C(=O)O)Br

InChI

InChI=1S/C10H9BrO4/c1-6(12)15-5-8-3-2-7(10(13)14)4-9(8)11/h2-4H,5H2,1H3,(H,13,14)

InChIKey

GGEQCBQMZSMHCO-UHFFFAOYSA-N

LogP

2.2104

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

254

Synonyms & References

English

FT-0746115
4-(acetyloxymethyl)-3-bromobenzoic acid
4-(Acetoxymethyl)-3-bromobenzoicacid
DTXSID80662367
A860712
SCHEMBL22573997
AKOS015841097
4-[(Acetyloxy)methyl]-3-bromobenzoic acid
4-(acetoxymethyl)-3-bromobenzoic acid
90772-73-9
4-(Acetoxymethyl)-3-bromobenzoic acid

MDL Number

MFCD11110880

FAQ

What are the physical and chemical properties of 4-(Acetoxymethyl)-3-bromobenzoic acid (CAS: 90772-73-9)?

4-(Acetoxymethyl)-3-bromobenzoic acid is a white or off-white crystalline solid with a molecular weight of approximately 286.04 g/mol. It is poorly soluble in water but soluble in most organic solvents. This compound exhibits moderate reactivity, particularly towards nucleophiles and bases, and is often used in organic synthesis due to its functional groups.

How is 4-(Acetoxymethyl)-3-bromobenzoic acid (CAS: 90772-73-9) typically synthesized?

4-(Acetoxymethyl)-3-bromobenzoic acid can be synthesized through a multi-step reaction starting from 3-bromobenzoic acid. The key steps include esterification of the carboxylic acid group to form the acetate ester, followed by bromination of the hydroxyl group at the methyl position. This process typically involves the use of acetic anhydride and a suitable base as a catalyst.

What industries use 4-(Acetoxymethyl)-3-bromobenzoic acid (CAS: 90772-73-9)?

4-(Acetoxymethyl)-3-bromobenzoic acid is primarily used in the pharmaceutical industry for the synthesis of various drugs and intermediates. It is also used in the polymer industry for modifying polymer properties and in the sensor industry for developing sensitive detection systems. Its reactivity towards nucleophiles makes it valuable in semiconductor applications as well.

What precautions should be taken when handling 4-(Acetoxymethyl)-3-bromobenzoic acid (CAS: 90772-73-9)?

When handling 4-(Acetoxymethyl)-3-bromobenzoic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood due to its potential reactivity. Spills should be cleaned up carefully using appropriate techniques and materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.