5-(4-Bromophenyl)-3-methyl-1,2,4-oxadiazole

Basic Information

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CAS Number

71566-07-9

Molecular Formula

C9H7BrN2O

Molecular Weight

239.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

97 °C

Boiling Point

327.9°C at 760 mmHg

Density

1.528

Flash Point

152.1°C

Refractive Index

1.577

SMILES

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CC1=NOC(=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C9H7BrN2O/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h2-5H,1H3

InChIKey

AVXXUFMZRHQRTK-UHFFFAOYSA-N

LogP

2.807520000000001

Topological Polar Surface Area

38.92 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

171

Synonyms & References

English

2-Butenoic acid, 2-cyano-3-(3-methylphenyl)-, ethyl ester
1,2,4-Oxadiazole,5-(4-bromophenyl)-3-methyl-
WCA56607
5-(4-bromophenyl)-3-methyl-1,2,4-oxadiazole
MFCD03069782
AKOS015957864
71566-07-9
1,2,4-Oxadiazole, 5-(4-bromophenyl)-3-methyl-
SCHEMBL3858388
AVXXUFMZRHQRTK-UHFFFAOYSA-N
EN300-79263
F2145-0644
FT-0750945
DTXSID70361054
5-(4-bromo-phenyl)-3-methyl-[1,2,4]oxadiazole

MDL Number

MFCD03069782

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 5-(4-Bromophenyl)-3-methyl-1,2,4-oxadiazole (CAS: 71566-07-9)?

5-(4-Bromophenyl)-3-methyl-1,2,4-oxadiazole is a crystalline solid with a molecular weight of approximately 282.04 g/mol. It has low water solubility but is soluble in organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but can react with strong bases or reducing agents. It is commonly used in organic synthesis due to its reactivity in various chemical processes.

How is 5-(4-Bromophenyl)-3-methyl-1,2,4-oxadiazole (CAS: 71566-07-9) typically synthesized?

5-(4-Bromophenyl)-3-methyl-1,2,4-oxadiazole is synthesized through a multi-step process involving bromination of an appropriate starting material followed by oxadiazation. Commonly, this involves the use of bromine in the presence of an oxidizing agent or a direct reaction with bromo compounds. The yield and selectivity can be enhanced with optimized reaction conditions and catalysts.

What industries use 5-(4-Bromophenyl)-3-methyl-1,2,4-oxadiazole (CAS: 71566-07-9)?

5-(4-Bromophenyl)-3-methyl-1,2,4-oxadiazole is primarily used in pharmaceuticals for intermediate synthesis and in the electronics industry for applications in semiconductors. It also finds use in the production of polymers and sensors due to its unique chemical properties.

What precautions should be taken when handling 5-(4-Bromophenyl)-3-methyl-1,2,4-oxadiazole (CAS: 71566-07-9)?

Proper personal protective equipment (PPE) is essential when handling 5-(4-Bromophenyl)-3-methyl-1,2,4-oxadiazole, including gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed down with water. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.