Ethyl 1-(4-bromophenyl)cyclopropanecarboxylate

Basic Information

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CAS Number

1215205-50-7

Molecular Formula

C12H13BrO2

Molecular Weight

269.14 g/mol

Basic Physical Properties

Boiling Point

306.5±35.0℃ at 760mmHg

SMILES

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CCOC(=O)C1(CC1)c1ccc(cc1)Br

InChI

InChI=1S/C12H13BrO2/c1-2-15-11(14)12(7-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3

InChIKey

KCCISTCYYRKGFF-UHFFFAOYSA-N

LogP

3.043800000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

240

Synonyms & References

English

ETHYL 1-(4-BROMOPHENYL)CYCLOPROPANECARBOXYLATE
ethyl 1-(4-bromophenyl)cyclopropane-1-carboxylate
1-(4-Bromo-phenyl)-cyclopropanecarboxylic acid ethyl ester
ETHYL1-(4-BROMOPHENYL)CYCLOPROPANECARBOXYLATE
KCCISTCYYRKGFF-UHFFFAOYSA-N
SY036422
AK107037
ST2406834
Z8358
Cyclopropan

MDL Number

MFCD15143548

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Ethyl 1-(4-bromophenyl)cyclopropanecarboxylate (CAS: 1215205-50-7)?

Ethyl 1-(4-bromophenyl)cyclopropanecarboxylate is a colorless to light yellowish liquid with a molecular weight of approximately 299.04 g/mol. It has a low solubility in water (less than 1 g/100 mL) and is more soluble in organic solvents such as ethanol and acetone. The compound is moderately reactive, particularly towards nucleophiles, and is used in synthesis reactions. It crystallizes at around -75°C and has a boiling point of 175°C. It is stable under normal conditions but should be handled with care to avoid decomposition under strong basic conditions.

How is Ethyl 1-(4-bromophenyl)cyclopropanecarboxylate (CAS: 1215205-50-7) typically synthesized?

Ethyl 1-(4-bromophenyl)cyclopropanecarboxylate can be synthesized via the reaction of 4-bromophenyl cyclopropanecarboxylic acid with ethyl bromide in the presence of a base such as sodium hydride. The yield is typically around 75%, and the reaction is carried out at room temperature with good selectivity. The reaction is monitored by TLC or GC (gas chromatography) to ensure the product formation.

What industries use Ethyl 1-(4-bromophenyl)cyclopropanecarboxylate (CAS: 1215205-50-7)?

Ethyl 1-(4-bromophenyl)cyclopropanecarboxylate is used in the pharmaceutical industry for the synthesis of certain drugs. It is also used in the polymer industry for the development of advanced polymer materials. Additionally, it is employed in the semiconductor industry for the fabrication of electronic devices, and in the sensor industry for the development of gas sensors. Its unique chemical structure makes it a valuable reagent in these sectors.

What precautions should be taken when handling Ethyl 1-(4-bromophenyl)cyclopropanecarboxylate (CAS: 1215205-50-7)?

When handling Ethyl 1-(4-bromophenyl)cyclopropanecarboxylate, appropriate Personal Protective Equipment (PPE) should be worn, including gloves, safety goggles, and lab coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be carefully cleaned up using appropriate absorbents, and the area should be thoroughly rinsed. In case of contact with eyes or skin, immediate rinsing with copious amounts of water is recommended. The Safety Data Sheet (SDS) should be consulted for detailed emergency handling procedures.