1-[4-(Bromomethyl)phenyl]-1H-pyrazole

Basic Information

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CAS Number

368869-85-6

Molecular Formula

C10H9BrN2

Molecular Weight

237.1 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

Melting Point

77-79°C

SMILES

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C1=CN(N=C1)C2=CC=C(C=C2)CBr

InChI

InChI=1S/C10H9BrN2/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8H2

InChIKey

PHNRBSHOFSWNII-UHFFFAOYSA-N

LogP

2.7672000000000008

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

155

Safety Information

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Hazard Statement

Synonyms & References

English

1H-Pyrazole, 1-[4-(bromomethyl)phenyl]-
DTXSID80380115
SCHEMBL272854
1-(4-bromomethyl-phenyl)-1H-pyrazole
1-(4-(bromomethyl)phenyl)-1H-pyrazole
A823432
F17239
STR07211
AB92069
368869-85-6
AMY11883
MFCD02681940
J-504110
1-[4-(Bromomethyl)phenyl]pyrazol
1-[4-(bromo-methyl)phenyl]-1H-pyrazole
1-[4-(Bromomethyl)Phenyl]-1H-Pyrazole
1-[4-(Bromomethyl)phenyl]-1H-pyrazole, AldrichCPR
4-(1H-Pyrazol-1-yl)benzyl bromide
AKOS016007665
EN300-1910223
1-[4-(bromomethyl)phenyl]pyrazole
1-(4-bromomethylphenyl)-1H-pyrazole
SY004186
PHNRBSHOFSWNII-UHFFFAOYSA-N
FT-0607136
1-[4-(bromomethyl)-phenyl]-1H-pyrazole
1-(4-(Bromomethyl)phenyl)-1H-pyrazole
1-[4-(Bromomethyl)phenyl]-1H-pyrazole
1H-Pyrazole,1-[4-(bromomethyl)phenyl]-

MDL Number

MFCD02681940

Customs Code

29331990

FAQ

What regulatory guidelines apply to 1-[4-(Bromomethyl)phenyl]-1H-pyrazole (CAS: 368869-85-6)?

The regulatory guidelines for 1-[4-(Bromomethyl)phenyl]-1H-pyrazole (CAS: 368869-85-6) include GHS classification, which categorizes it as a hazardous substance. For production and import, REACH regulations apply in the European Union, requiring registration of substances if they are manufactured or imported in quantities exceeding one tonne per year. The FDA and EPA have their own guidelines for the handling and disposal of such compounds, including reporting requirements and safety measures to prevent environmental contamination.

Are there alternatives to 1-[4-(Bromomethyl)phenyl]-1H-pyrazole (CAS: 368869-85-6) in synthesis?

There are alternatives to 1-[4-(Bromomethyl)phenyl]-1H-pyrazole for synthesis, such as 1-(4-methylphenyl)-1H-pyrazole and 1-(4-ethylphenyl)-1H-pyrazole. These can be used as substitutes depending on the specific requirements of the synthesis. Other common alternatives include using different functional groups or substituents on the pyrazole ring, such as a methyl or ethyl group instead of the bromomethyl group.

What is the market or research trend for 1-[4-(Bromomethyl)phenyl]-1H-pyrazole (CAS: 368869-85-6)?

The market for 1-[4-(Bromomethyl)phenyl]-1H-pyrazole (CAS: 368869-85-6) is driven by its applications in pharmaceutical and agrochemical industries. Research trends focus on its potential as an intermediate in the synthesis of medicinal compounds and its role as a ligand in metal complexes. There is increasing interest in exploring its biological activity, particularly in the context of antiviral and anticancer applications. Additionally, the trend towards green chemistry is influencing the development of more environmentally friendly synthetic routes to this compound.

How should waste containing 1-[4-(Bromomethyl)phenyl]-1H-pyrazole (CAS: 368869-85-6) be handled?

Waste containing 1-[4-(Bromomethyl)phenyl]-1H-pyrazole (CAS: 368869-85-6) should be managed according to hazardous waste regulations. It is important to collect the waste in a sealed container and label it appropriately. For disposal, incineration is a common method, but professional waste disposal services are recommended to ensure compliance with environmental protection standards. Precautions include wearing protective gear and ensuring proper ventilation to prevent exposure to the compound and its potential byproducts during handling and disposal.