4-Bromo-5-methyl-1,2-oxazole

Basic Information

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CAS Number

7064-37-1

Molecular Formula

C4H4BrNO

Molecular Weight

161.99 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

Boiling Point

147-148 ºC

Density

1.654±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

74.9±21.8 ºC,

Refractive Index

1.4915 (589.3 nm 20 ºC)

SMILES

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CC1=C(C=NO1)Br

InChI

InChI=1S/C4H4BrNO/c1-3-4(5)2-6-7-3/h2H,1H3

InChIKey

SBDZMDRGAWHCNX-UHFFFAOYSA-N

LogP

1.74552

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

68.7

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

SCHEMBL5859357
4-bromo-5-methylisoxazole
CS-W006910
AS-48193
W-203581
Isoxazole, 4-bromo-5-methyl-
MFCD13689016
7064-37-1
FT-0758356
EN300-101747
F19689
A866578
Isoxazole, 4-bromo-5-methyl- (6CI,7CI,8CI,9CI)
ISOXAZOLE,4-BROMO-5-METHYL-
4-bromo-5-methyl-1,2-oxazole
C4H4BrNO
AKOS016009923
4-Bromo-5-methylisoxazole
4-Bromo-5-methyl-isoxazole
Isoxazole,4-bromo-5-methyl-
4-Brom-5-methyl-isoxazol
0948AC
RL04707
AK112982
ST2411216

MDL Number

MFCD13689016

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 4-Bromo-5-methyl-1,2-oxazole (CAS: 7064-37-1)?

4-Bromo-5-methyl-1,2-oxazole (CAS: 7064-37-1) is a crystalline solid with a molecular weight of approximately 197.01 g/mol. It has a melting point of 114-116°C and is slightly soluble in water. This compound is reactive towards nucleophiles and can undergo substitution reactions. It is used in various chemical syntheses and as a reagent in organic chemistry.

How is 4-Bromo-5-methyl-1,2-oxazole (CAS: 7064-37-1) typically synthesized?

4-Bromo-5-methyl-1,2-oxazole (CAS: 7064-37-1) is often synthesized via the bromination of 5-methyl-1,2-oxazole with bromine in the presence of a suitable solvent. The reaction is typically conducted under anhydrous conditions to avoid side reactions. The yield can be up to 85% with a high level of selectivity.

What industries use 4-Bromo-5-methyl-1,2-oxazole (CAS: 7064-37-1)?

4-Bromo-5-methyl-1,2-oxazole (CAS: 7064-37-1) finds applications in the pharmaceutical industry for intermediate synthesis, as well as in the polymer industry for enhancing certain properties. It is also used in sensor technology and semiconductor manufacturing for specific reactivity and functionalization purposes.

What precautions should be taken when handling 4-Bromo-5-methyl-1,2-oxazole (CAS: 7064-37-1)?

When handling 4-Bromo-5-methyl-1,2-oxazole (CAS: 7064-37-1), appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be worn. The compound should be handled in a well-ventilated area or under a fume hood. In case of a spill, use appropriate cleanup procedures and ensure to follow safety data sheet (SDS) guidelines.