Methyl 4-(bromomethyl)-3-fluorobenzoate

Basic Information

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CAS Number

128577-47-9

Molecular Formula

C9H8BrFO2

Molecular Weight

247.06 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 Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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COC(=O)C1=CC(=C(C=C1)CBr)F

InChI

InChI=1S/C9H8BrFO2/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4H,5H2,1H3

InChIKey

OJBQAHZJVDWSFD-UHFFFAOYSA-N

LogP

2.507200000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

187

Synonyms & References

English

128577-47-9
AKOS015911828
4-bromomethyl-3-fluoro-benzoic acid methyl ester
DTXSID30596108
MFCD00273345
SCHEMBL197186
AB05832
BENZOIC ACID, 4-(BROMOMETHYL)-3-FLUORO-, METHYL ESTER
DS-13798
METHYL 4-(BROMOMETHYL)-3-FLUOROBENZOATE
methyl 3-fluoro-4-(bromomethyl)benzoate
4-Bromomethyl-3-fluorobenzoic acid methyl ester
methyl 4-bromomethyl-3-fluorobenzenecarboxylate
methyl 4-(bromomethyl)-3-fluoro-benzoate
CS-W002596
FT-0646888
Methyl4-(bromomethyl)-3-fluorobenzoate
OJBQAHZJVDWSFD-UHFFFAOYSA-N
EN300-119904
Methyl 4-bromomethyl-3-fluorobenzoate
SY027656
Methyl 3-fluoro-4-bromomethylbenzoate
Methyl 4-(bromomethyl)-3-fluorobenzoate
MMETHYL 4-(BROMOMETHYL)-3-FLUOROBENZOATE
4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL ESTER
Benzoic acid, 4-(bromomethyl)-3-fluoro-, methyl ester
-3-fluorobenzoate
4-(bromomethyl)-3-fluorobenzoic acid
Methyl 4-bromomethyl-3-fluorobenzoat
4-BROMOMETHYL-3-FLUOROBENZOIC ACID METHYL
Benzoicacid, 4-(bromomethyl)-3-fluoro-, methyl ester

MDL Number

MFCD00273345

FAQ

What regulatory guidelines apply to Methyl 4-(bromomethyl)-3-fluorobenzoate (CAS: 128577-47-9)?

Methyl 4-(bromomethyl)-3-fluorobenzoate (CAS: 128577-47-9) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which includes hazard communication such as classification for physical and health hazards. It is also subject to the European Union's Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation for its manufacture, placement on the market, and use. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific guidelines and restrictions applicable to its handling, storage, and disposal.

Are there alternatives to Methyl 4-(bromomethyl)-3-fluorobenzoate (CAS: 128577-47-9) in synthesis?

In the synthesis of functionalized benzoates, alternatives to Methyl 4-(bromomethyl)-3-fluorobenzoate (CAS: 128577-47-9) can include other bromo- or fluoro-substituted benzoates, such as Methyl 4-(bromomethyl)benzoate or Methyl 3-fluorobenzoate. These alternatives can be used depending on the specific reaction conditions and desired product properties, often requiring adjustments in reagents and reaction conditions.

What is the market or research trend for Methyl 4-(bromomethyl)-3-fluorobenzoate (CAS: 128577-47-9)?

The market for Methyl 4-(bromomethyl)-3-fluorobenzoate (CAS: 128577-47-9) is driven by its use in various applications including pharmaceuticals and organic synthesis. Research trends are focused on developing more efficient synthesis methods and identifying new applications. Price trends may fluctuate based on supply and demand factors. Emerging research in green chemistry and sustainable processes is also influencing the development of this compound.

How should waste containing Methyl 4-(bromomethyl)-3-fluorobenzoate (CAS: 128577-47-9) be handled?

Waste containing Methyl 4-(bromomethyl)-3-fluorobenzoate (CAS: 128577-47-9) should be collected and stored in a sealed, leak-proof container to prevent environmental contamination. Incineration or professional waste disposal services should be utilized for disposal. Proper environmental protection measures, such as neutralizing any acidic or basic components, should be taken to minimize environmental impact. Compliance with local and international waste disposal regulations is essential to ensure safe and lawful disposal.