3-Bromo-1-methyl-1H-1,2,4-triazole

Basic Information

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CAS Number

56616-91-2

Molecular Formula

C3H4BrN3

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

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

SMILES

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CN1C=NC(=N1)Br

InChI

InChI=1S/C3H4BrN3/c1-7-2-5-3(4)6-7/h2H,1H3

InChIKey

KWGLUDZPAMFWJZ-UHFFFAOYSA-N

LogP

0.5775999999999999

Topological Polar Surface Area

30.71 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

67.2

Safety Information

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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

3-BROMO-1-METHYL-1H-1,2,4-TRIAZOLE
56616-91-2
EN300-232928
FT-0730057
3-bromo-1-methyl-1H-[1,2,4]TRIAZOLE
GS-3719
AKOS006308181
SCHEMBL2270773
MFCD11109755
KWGLUDZPAMFWJZ-UHFFFAOYSA-N
1H-1,2,4-Triazole,3-bromo-1-methyl-
3-Bromo-1-methyl-1H-1,2,4-triazole, AldrichCPR
3-bromanyl-1-methyl-1,2,4-triazole
A831116
DTXSID70205186
1H-1,2,4-Triazole, 3-bromo-1-methyl-
SY043004
3-bromo-1-methyl-1,2,4-triazole
CS-W016130
3-Bromo-1-methyl-1H-1,2,4-triazole

MDL Number

MFCD11109755

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 3-Bromo-1-methyl-1H-1,2,4-triazole (CAS: 56616-91-2)?

3-Bromo-1-methyl-1H-1,2,4-triazole (CAS: 56616-91-2) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements for chemical substances. It is classified as a hazardous chemical due to its bromine content. Proper handling and storage are required to prevent exposure and potential environmental impact.

Are there alternatives to 3-Bromo-1-methyl-1H-1,2,4-triazole (CAS: 56616-91-2) in synthesis?

Alternatives to 3-Bromo-1-methyl-1H-1,2,4-triazole (CAS: 56616-91-2) include other substituted triazoles like 1-phenyl-1H-1,2,4-triazole and 3-(trifluoromethyl)-1-methyl-1H-1,2,4-triazole. These can be used as synthetic alternatives, depending on the specific application and reactivity requirements.

What is the market or research trend for 3-Bromo-1-methyl-1H-1,2,4-triazole (CAS: 56616-91-2)?

Research trends for 3-Bromo-1-methyl-1H-1,2,4-triazole (CAS: 56616-91-2) focus on its use in pharmaceuticals and as a key intermediate in organic synthesis. Market demand is driven by its application in antifungal and antibacterial drug development. Recent studies also explore its role in materials science and catalysis.

How should waste containing 3-Bromo-1-methyl-1H-1,2,4-triazole (CAS: 56616-91-2) be handled?

Waste containing 3-Bromo-1-methyl-1H-1,2,4-triazole (CAS: 56616-91-2) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method for disposal, and environmental precautions must be taken to prevent contamination. It is crucial to follow local and international regulations for hazardous waste management.