4-methyl-2,1,3-benzoxadiazole

Basic Information

View in Editor

CAS Number

29091-40-5

Molecular Formula

C7H6N2O

Molecular Weight

134.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

209.2 ºC

Flash Point

82.0 ºC

SMILES

View in Editor

CC1=CC=CC2=NON=C12

InChI

InChI=1S/C7H6N2O/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3

InChIKey

PTXJEYIAUIOTSH-UHFFFAOYSA-N

LogP

1.53122

Topological Polar Surface Area

38.92 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

129

Safety Information

View Safety Information

Hazard Statement

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

4-methyl-benzo[1,2,5]oxadiazole
AKOS006229612
4-Methylbenzofurazan
MFCD00100600
4-Methyl-2,1,3-benzoxadiazole
SY011026
FT-0744175
4-METHYL-BENZO(1,2,5)OXADIAZOLE
SCHEMBL762439
4-Methylbenzo[1,2,5]oxadiazole
DTXSID10342741
4-Methyl-benzofurazan
CS-0058599
AS-31337
EN300-85133
AM85704
4-Methyl-2,1,3-benzoxadiazole, AldrichCPR
4-methyl-2, 1, 3-benzoxadiazole
A876528
4-Methyl-2,1,3-benzoxadiazole #
PTXJEYIAUIOTSH-UHFFFAOYSA-N
methylbenzfurazan
4-Methylbenzo[c][1,2,5]oxadiazole
29091-40-5
4-Methyl-2 pound not1 pound not3-benzoxadiazole
2,1,3-Benzoxadiazole, 4-methyl-
CHEBI:194893
2,1,3-Benzoxadiazole,4-methyl-
4-Methyl-Benzo(1,2,5)Oxadiazole
2,1,3-Benzoxadiazole,4-methyl
4-Methyl-benz[1,2,5]oxadiazol

MDL Number

MFCD00100600

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 4-methyl-2,1,3-benzoxadiazole (CAS: 29091-40-5)?

4-methyl-2,1,3-benzoxadiazole (CAS: 29091-40-5) is subject to various regulatory guidelines. Under the Globally Harmonized System (GHS), it is classified as a skin irritant and requires appropriate labeling. In Europe, it falls under REACH regulations, which require manufacturers and importers to register substances with the European Chemicals Agency. For FDA and EPA compliance, specific handling and storage instructions are recommended to ensure environmental safety and worker protection.

Are there alternatives to 4-methyl-2,1,3-benzoxadiazole (CAS: 29091-40-5) in synthesis?

There are several alternatives to 4-methyl-2,1,3-benzoxadiazole (CAS: 29091-40-5) in organic synthesis. Common analogs include 2,1,3-benzothiadiazole and 2,1,3-benzoxazole. Isomers such as 2-methyl-1,3-benzoxadiazole can also be utilized. Alternative reagents like thiadiazoles or other heterocycles can serve as functional equivalents depending on the specific reaction conditions and desired properties.

What is the market or research trend for 4-methyl-2,1,3-benzoxadiazole (CAS: 29091-40-5)?

The market for 4-methyl-2,1,3-benzoxadiazole (CAS: 29091-40-5) is driven by its applications in pharmaceuticals, agrochemicals, and materials science. Recent research trends focus on its use as a precursor for drug synthesis and as a component in antifungal and antibacterial formulations. Market trends indicate a steady demand, with ongoing exploration of its potential in sustainable chemical processes and advanced materials development.

How should waste containing 4-methyl-2,1,3-benzoxadiazole (CAS: 29091-40-5) be handled?

Waste containing 4-methyl-2,1,3-benzoxadiazole (CAS: 29091-40-5) should be handled according to environmental protection regulations. Collect waste liquids in appropriate containers and ensure proper labeling. For solid waste, use airtight containers. Incineration or professional waste disposal services may be necessary. Always follow local waste management guidelines and ensure compliance with safety protocols to prevent environmental contamination and ensure worker safety.