3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde

Basic Information

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CAS Number

861932-08-3

Molecular Formula

C10H7BrN2O

Molecular Weight

251.08 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

400.7℃/760mmHg

SMILES

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Brc1cc(C=O)ccc1n2ccnc2

InChI

InChI=1S/C10H7BrN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-7H

InChIKey

MWRSHCXIXJNGGF-UHFFFAOYSA-N

LogP

2.4473000000000003

Topological Polar Surface Area

34.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

212

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde
3-Bromo-4-(1-imidazolyl)benzaldehyde
3-bromo-4-imidazol-1-ylbenzaldehyde
Benzaldehyde, 3-bromo-4-(1H-imidazol-1-yl)-
MWRSHCXIXJNGGF-UHFFFAOYSA-N
5819AJ
KM2390
TRA0091662
3-bromo-(4-imidazol-1-yl)benzaldehyde
SY004869
AB1000246
Benzaldehyde,3-bromo-4-(1H-imidazol-1-yl)-
3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde, AldrichCPR

MDL Number

MFCD11656797

Customs Code

2933290090

FAQ

What are the physical and chemical properties of 3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde (CAS: 861932-08-3)?

3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde (CAS: 861932-08-3) is a crystalline solid with a molecular weight of approximately 252.04 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and dichloromethane. This compound is known for its reactivity, particularly in nucleophilic substitution reactions at the bromine atom and condensation reactions involving the benzaldehyde moiety. It is used in various synthetic routes and as a building block in organic synthesis.

How is 3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde (CAS: 861932-08-3) typically synthesized?

3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde (CAS: 861932-08-3) can be synthesized through the condensation of 4-bromoacetophenone with 1H-imidazole followed by the introduction of the benzaldehyde group. The reaction typically requires a catalyst such as sodium ethoxide in ethanol. High selectivity and good yield are achieved under these conditions, making this a popular method in academic and industrial settings.

What industries use 3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde (CAS: 861932-08-3)?

3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde (CAS: 861932-08-3) is used in the pharmaceutical industry for the synthesis of various drug candidates due to its functional groups. It is also employed in the polymer industry for developing new materials with specific properties. Additionally, it finds applications in sensor technology for its reactivity and in semiconductor manufacturing for its use in organic thin-film transistors.

What precautions should be taken when handling 3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde (CAS: 861932-08-3)?

When handling 3-Bromo-4-(1H-imidazol-1-yl)benzaldehyde (CAS: 861932-08-3), it is crucial to use personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area, preferably under a fume hood. Spills should be cleaned up using appropriate chemicals, and the area should be well-ventilated. In case of skin or eye contact, immediate washing with plenty of water and seeking medical advice is recommended. A Safety Data Sheet (SDS) should be consulted for detailed procedures and emergency information.