4-Bromo-1-methyl-1H-pyrazole-3-carbaldehyde

Basic Information

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CAS Number

287917-96-8

Molecular Formula

C5H5BrN2O

Molecular Weight

189.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

70 °C

Boiling Point

275.2±20.0 ºC (760 Torr),

Flash Point

120.2±21.8 ºC,

SMILES

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CN1C=C(C(=N1)C=O)Br

InChI

InChI=1S/C5H5BrN2O/c1-8-2-4(6)5(3-9)7-8/h2-3H,1H3

InChIKey

KGIYMMPLYIITLL-UHFFFAOYSA-N

LogP

0.9951000000000001

Topological Polar Surface Area

34.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

120

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

Sensitiveness

Air Sensitive

Synonyms & References

English

4-bromo-1-methylpyrazole-3-carbaldehyde
SY064638
SB21946
MFCD00103235
4-Bromo-1-methyl-1H-pyrazole-3-carboxaldehyde
AMY11933
EN300-396067
4-Bromo-1-methylpyrazole-3-carboxaldehyde
FT-0617710
DTXSID90370820
1H-Pyrazole-3-carboxaldehyde, 4-bromo-1-methyl-
CS-0042930
4-bromo-1-methyl-1H-pyrazole-3-carbaldehyde
PS-3090
AKOS005167221
KGIYMMPLYIITLL-UHFFFAOYSA-N
SCHEMBL671732
287917-96-8
Z1201619120
4-Bromo-1-methyl-1H-pyrazole-3-carbaldehyde
4-Bromo-1-Methylpyrazole-3-Carboxaldehyde
1H-Pyrazole-3-carboxaldehyde,4-bromo-1-methyl-
4-Bromo-1-Methyl-1H-Pyrazole-5-Carbaldehyde
4-Bromo-3-formyl-1-methyl-1H-pyrazole
PubChem23668
BBL104321
STK349052
SBB020579
4-bromo-1-methyl-pyrazole-3-carbaldehyde

MDL Number

MFCD00103235

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 4-Bromo-1-methyl-1H-pyrazole-3-carbaldehyde (CAS: 287917-96-8)?

4-Bromo-1-methyl-1H-pyrazole-3-carbaldehyde (CAS: 287917-96-8) falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard classification for physical and health effects. Additionally, it is subject to the European Union's REACH regulations, which require manufacturers and importers to register substances above a certain tonnage threshold. For FDA and EPA requirements, specific regulations may apply based on its intended use and potential environmental impact.

Are there alternatives to 4-Bromo-1-methyl-1H-pyrazole-3-carbaldehyde in synthesis?

There are several alternatives to 4-Bromo-1-methyl-1H-pyrazole-3-carbaldehyde in synthesis, including related compounds like 4-bromopyrazoles and other brominated heterocycles. Common alternative reagents include bromoacetic acid and bromoform, which can be used in various synthetic pathways. These alternatives offer similar functional groups while providing different structural characteristics.

What is the market or research trend for 4-Bromo-1-methyl-1H-pyrazole-3-carbaldehyde?

The market for 4-Bromo-1-methyl-1H-pyrazole-3-carbaldehyde (CAS: 287917-96-8) is influenced by its applications in pharmaceutical and agricultural research, particularly in the development of new drugs and pesticides. Research trends indicate an increasing interest in its potential as a precursor for synthesizing various bioactive compounds. Market demand is expected to grow with advancements in synthetic chemistry and drug discovery.

How should waste containing 4-Bromo-1-methyl-1H-pyrazole-3-carbaldehyde be handled?

Waste containing 4-Bromo-1-methyl-1H-pyrazole-3-carbaldehyde (CAS: 287917-96-8) should be collected in appropriate containers and stored in a well-ventilated area away from ignition sources. Incineration is a suitable method for disposal, provided it is done in a properly equipped facility with appropriate safety measures. Professional waste disposal services are recommended to ensure compliance with environmental regulations and safe handling practices. Proper environmental protection precautions, such as using personal protective equipment, should always be followed.