3-Bromo-4-hydroxy-5-methoxybenzaldehyde

Basic Information

View in Editor

CAS Number

2973-76-4

Molecular Formula

C8H7BrO3

Molecular Weight

231.05 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 Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

161.0 to 167.0 deg-C

Boiling Point

289.5 ℃ at 760 mmHg

Flash Point

128.9℃

Refractive Index

1.4730 (estimate)

SMILES

View in Editor

COC1=C(C(=CC(=C1)C=O)Br)O

InChI

InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

InChIKey

KLSHZDPXXKAHIJ-UHFFFAOYSA-N

LogP

1.9758

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

162

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air & Light Sensitive

Synonyms & References

English

5-bromo-vanilline
3-bromo-4-hydroxy-5-methoxy-benzaldehyde
NSC-10073
MFCD00006940
5-Bromovanillin, 97%
5-Bromo-4-hydroxy-3-methoxybenzaldehyde
5-BROMO-3-METHOXY-4-HYDROXYBENZALDEHYDE
3-methoxy-4-hydroxy-5-bromo-benzaldehyde
Z57313888
3-Bromo-4-hydroxy-5-methoxybenzaldehyde
DTXSID7022203
3-bromo-5-methoxy-4-hydroxybenzaldehyde
STR06093
FT-0620059
CHEMBL467332
W-106976
NS00028764
EINECS 221-016-6
2973-76-4
508WVS56PW
3-bromo4-hydroxy-5-methoxy-benzaldehyde
Q21045306
NSC 10073
A820035
ghl.PD_Mitscher_leg0.1018
Vanillin, 5-bromo-
UNII-508WVS56PW
EN300-18184
NSC 29037
3-methoxy-4-hydroxy-5-bromobenzaldehyde
AMY18086

MDL Number

MFCD00006940

Customs Code

2913000090

FAQ

What are the physical and chemical properties of 3-Bromo-4-hydroxy-5-methoxybenzaldehyde (CAS: 2973-76-4)?

3-Bromo-4-hydroxy-5-methoxybenzaldehyde is a white crystalline solid with a molecular weight of approximately 276.07 g/mol. It has a solubility of about 1.5 g/L in water and is poorly soluble in most organic solvents. This compound is moderately reactive towards nucleophiles and can undergo substitution reactions. It has a pungent odor and can react with strong oxidizers and reductants.

How is 3-Bromo-4-hydroxy-5-methoxybenzaldehyde (CAS: 2973-76-4) typically synthesized?

3-Bromo-4-hydroxy-5-methoxybenzaldehyde can be synthesized via bromination of 4-hydroxy-5-methoxybenzaldehyde followed by hydrolysis. The synthesis typically involves the use of N-bromosuccinimide (NBS) as a brominating agent and a radical initiator in an organic solvent like dichloromethane. The reaction is carried out at room temperature and yields a product with high purity and selectivity.

What industries use 3-Bromo-4-hydroxy-5-methoxybenzaldehyde (CAS: 2973-76-4)?

3-Bromo-4-hydroxy-5-methoxybenzaldehyde is used in various industries. It finds applications in the pharmaceutical sector for the synthesis of certain drugs. It is also used in the production of sensors and as a precursor in the synthesis of dyes and other organic compounds. Additionally, it has some roles in the polymer industry for creating new materials with specific properties.

What precautions should be taken when handling 3-Bromo-4-hydroxy-5-methoxybenzaldehyde (CAS: 2973-76-4)?

When handling 3-Bromo-4-hydroxy-5-methoxybenzaldehyde, proper personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure to its fumes. Spills should be cleaned up with caution, and appropriate spill clean-up procedures should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.