3-Bromo-1-methyl-1H-pyrazole

Basic Information

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CAS Number

151049-87-5

Molecular Formula

C4H5BrN2

Molecular Weight

161 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

Physical State

No data available

Melting Point

No data available

Boiling Point

204-210 °C/760 mmHg

Refractive Index

n20/D 1.528

SMILES

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CN1C=CC(=N1)Br

InChI

InChI=1S/C4H5BrN2/c1-7-3-2-4(5)6-7/h2-3H,1H3

InChIKey

ZGEVJEQMVRIEPX-UHFFFAOYSA-N

LogP

1.1825999999999999

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

66.7

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

Sensitiveness

Sensitive to humidity

Synonyms & References

English

MFCD11110668
AC-23022
A809110
AM20080384
3-Bromo-1-methyl-1H-pyrazole, 96%
BCP14739
AKOS005169619
3-Bromo-1-methyl-1H-pyrazole, AldrichCPR
DTXSID30565910
W-205713
3-Bromo-1-methylpyrazole
3-bromanyl-1-methyl-pyrazole
3-bromo-1-methyl-1H-pyrazole
EN300-70253
3-bromo-1-methyl-pyrazole
151049-87-5
CS-D0836
SY007834
PB19136
A3320
FT-0649464
1H-Pyrazole, 3-bromo-1-methyl-
DS-11158
SCHEMBL103356
1H-Pyrazole,3-bromo-1-methyl-(9CI)
1-Methyl-3-bromopyrazole
3-Bromo-1-methyl-1H-pyrazole
1H-Pyrazole,3-bromo-1-methyl-
1-Methyl-3-bromopyrazole 3-Bromo-1-methylpyrazole
3-BroMo-1-Methyl-1H-pyraz...
1H-Pyrazole, 3-bromo-1-methyl

MDL Number

MFCD11110668

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 3-Bromo-1-methyl-1H-pyrazole (CAS: 151049-87-5)?

3-Bromo-1-methyl-1H-pyrazole (CAS: 151049-87-5) falls under the classification of a hazardous chemical under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). It is regulated by REACH in the European Union, and may require FDA or EPA approval depending on its intended use in the United States. Proper labeling, storage, and handling are required to comply with these regulations.

Are there alternatives to 3-Bromo-1-methyl-1H-pyrazole in synthesis?

Alternative reagents can be used in the synthesis of 3-Bromo-1-methyl-1H-pyrazole, such as bromoacetic acid and pyrazol-3-one. Isomers like 1-Bromo-3-methyl-1H-pyrazole may also be considered as alternatives, depending on the specific synthesis requirements and desired product characteristics.

What is the market or research trend for 3-Bromo-1-methyl-1H-pyrazole?

The market for 3-Bromo-1-methyl-1H-pyrazole is expanding due to its versatile applications in pharmaceuticals and agrochemicals. Research trends indicate increasing interest in its use as a precursor for the synthesis of bioactive compounds. The trend towards sustainable and environmentally friendly processes is also influencing the development of new synthesis methods.

How should waste containing 3-Bromo-1-methyl-1H-pyrazole be handled?

Waste containing 3-Bromo-1-methyl-1H-pyrazole should be collected in a sealed container and disposed of in accordance with local regulations. Incineration or professional waste disposal services are recommended. Environmental protection measures, such as preventing spills and ensuring proper ventilation, should be strictly adhered to during handling and disposal to minimize environmental impact.