Methyl 3-bromo-4-formylbenzoate

Basic Information

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CAS Number

90484-53-0

Molecular Formula

C9H7BrO3

Molecular Weight

243.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

76.8-77.6 ºC

Density

1.566±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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

InChI

InChI=1S/C9H7BrO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-5H,1H3

InChIKey

OILDTPUIIUEPFL-UHFFFAOYSA-N

LogP

2.0482

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

205

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

Synonyms & References

English

Methyl 3-bromo-4-formylbenzoate
RB3327
5064AC
AK100357
ST24025283
Terephthalaldehydic acid, 3-bromo-, methyl ester (7CI)
3-Bromo-4-formyl-benzoic acid methyl ester
MFCD16036864
DTXSID10697526
90484-53-0
AKOS016002777
EN300-201573
METHYL 3-BROMO-4-FORMYLBENZOATE
Methyl3-bromo-4-formylbenzoate
SY024128
DS-3513
DA-01275
Z1269226369
SCHEMBL205064

MDL Number

MFCD16036864

FAQ

What regulatory guidelines apply to Methyl 3-bromo-4-formylbenzoate (CAS: 90484-53-0)?

Methyl 3-bromo-4-formylbenzoate (CAS: 90484-53-0) is regulated under the Globally Harmonized System (GHS) of Classification and Labelling of Chemicals, requiring appropriate hazard communication. Additionally, it falls under the European Union's Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation. The U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may also have specific requirements regarding the handling, storage, and disposal of this compound.

Are there alternatives to Methyl 3-bromo-4-formylbenzoate (CAS: 90484-53-0) in synthesis?

There are several alternatives to Methyl 3-bromo-4-formylbenzoate (CAS: 90484-53-0) in synthesis, such as Methyl 4-formyl-3-iodobenzoate and Methyl 3-bromo-4-acetylbenzoate. These alternatives may offer similar functionality but with different reactivity profiles or solubility, providing flexibility in synthetic routes.

What is the market or research trend for Methyl 3-bromo-4-formylbenzoate (CAS: 90484-53-0)?

The market for Methyl 3-bromo-4-formylbenzoate (CAS: 90484-53-0) is driven by its use in organic synthesis and pharmaceuticals. Research trends focus on its application in the development of novel drug molecules and materials. Market dynamics are influenced by the increasing demand in pharmaceutical industries and the exploration of its potential in new chemical synthesis pathways.

How should waste containing Methyl 3-bromo-4-formylbenzoate (CAS: 90484-53-0) be handled?

Waste containing Methyl 3-bromo-4-formylbenzoate (CAS: 90484-53-0) should be collected in appropriate containers and disposed of through incineration or professional waste disposal services that comply with local regulations. Environmental protection measures include proper labeling and storage to prevent contamination. Handling should follow safety guidelines to protect human health and the environment.