2-Methyl-1,3-benzoxazole

Basic Information

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CAS Number

95-21-6

Molecular Formula

C8H7NO

Molecular Weight

133.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

5-10 °C

Boiling Point

178 °C

Density

1.121 g/mL at 25 °C

Water Solubility

Not miscible in water.

Refractive Index

n20/D 1.550(lit.)

SMILES

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Cc1nc2ccccc2o1

InChI

InChI=1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3

InChIKey

DQSHFKPKFISSNM-UHFFFAOYSA-N

LogP

2.13622

Topological Polar Surface Area

26.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

126

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

2-Methylbenzoxazole
2-METHYLBENOXAZOLE
METHYL-1,3-BENZOXAZOLINONE
2-METHYL-5-CHLORO-6-BENZOXAZOLAMINE
Ethanesulfonyl chloride
ESC
2-Methylbenzo[d]oxazole
2-methyl-1,3-benzoxazole
2-METHYLBENZODOXAZOLE
2-Methyl-benzooxazole
2-Methylbenzoxazoic
2-Methylbenzoxazol
Benzoxazole,2-methyl
METHYLBENZOXAZOLE
TABAXOL
usafek-982
NSC 3824
BENZOXAZOLE, 2-METHYL-
2-methyl-benzoxazole
2-Methyl-4,5-benzo-oxazole
2-Methyl-4,5-benzoxazole
2-Methylbenzoxazol [Czech]
Z0P021V3TI
DQSHFKPKFISSNM-UHFFFAOYSA-N
Benzoxazole, methyl-
2-Methylbenzoxazole.
PubChem8631
KSC457Q9L
2-Methyl-1,3-benzoxazole #
2-Methylbenzoxazole (ACI)
2-Methyl-1,3-benzoxazole

MDL Number

MFCD00005771

Customs Code

29349990

FAQ

What regulatory guidelines apply to 2-Methyl-1,3-benzoxazole (CAS: 95-21-6)?

2-Methyl-1,3-benzoxazole (CAS: 95-21-6) falls under the classification of a hazardous chemical. It is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a skin and eye irritant. In the EU, it is classified as a category 3 skin irritant. Additionally, it is subject to reporting under the REACH Regulation in the EU. For the FDA and EPA, it may require specific handling and disposal guidelines due to its potential environmental impacts and toxicity. Always consult the latest regulations and safety data sheets (SDS) for detailed information.

Are there alternatives to 2-Methyl-1,3-benzoxazole (CAS: 95-21-6) in synthesis?

In synthesis, 2-Methyl-1,3-benzoxazole (CAS: 95-21-6) can be replaced by structurally similar compounds such as 1-methylbenzoxazole or 2-phenylbenzoxazole. Other alternatives include using different heterocycles like pyridine or indole. For specific applications, researchers may opt for bioisosteres that maintain similar physicochemical properties but with different functional groups, making them more suitable for certain reactions or applications.

What is the market or research trend for 2-Methyl-1,3-benzoxazole (CAS: 95-21-6)?

The market for 2-Methyl-1,3-benzoxazole (CAS: 95-21-6) is primarily driven by its use in pharmaceuticals, agrochemicals, and organic synthesis intermediates. Recent research trends highlight its potential in drug discovery, particularly as a scaffold for developing new therapeutic agents. There is also increasing interest in its application in pesticides and herbicides. Market trends show a steady demand with ongoing exploration into its properties and potential uses, driven by its unique structural features and reactivity.

How should waste containing 2-Methyl-1,3-benzoxazole (CAS: 95-21-6) be handled?

Waste containing 2-Methyl-1,3-benzoxazole (CAS: 95-21-6) should be handled with caution due to its potential toxicity. Collect waste in appropriate containers and ensure it is labeled for hazardous waste. Incineration is a common method for disposal, but professional waste disposal services should be used to ensure compliance with local regulations. Environmental protection measures include preventing spills and ensuring proper containment to avoid soil or water pollution. It is crucial to follow the guidelines and safety data sheets (SDS) for safe and legal disposal.