1,4-Dimethyl-1H-pyrazole

Basic Information

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CAS Number

1072-68-0

Molecular Formula

C5H8N2

Molecular Weight

96.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

145.6°C at 760 mmHg

Density

0.98

Flash Point

41.9°C

Refractive Index

1.518

SMILES

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CC1=CN(N=C1)C

InChI

InChI=1S/C5H8N2/c1-5-3-6-7(2)4-5/h3-4H,1-2H3

InChIKey

SZQCPPRPWDXLMM-UHFFFAOYSA-N

LogP

0.72852

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

63.1

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

Synonyms & References

English

1,4-Dimethyl-1H-pyrazole #
(1-methyl-1H-pyrazol-4-yl)methane
1072-68-0
AMY25522
MFCD01075158
FT-0656851
SY014459
1,4-Dimethyl-1H-pyrazole
Q63399673
1,4-Dimethyl pyrazole
EN300-79338
AS-57296
1,4-Dimethylpyrazole
1H-Pyrazole, 1,4-dimethyl-
AC-4838
NS00023450
CS-W021288
AKOS005169178
Pyrazole, 1,4-dimethyl-
DTXSID80147947
1,4-DIMETHYLPYRAZOLE
1,4-Dimethyl-1H-pyrazol
2,4-dimethylpyrazole
Pyrazole,1,4-dimethyl
SZQCPPRPWDXLMM-UHFFFAOYSA-N
PubChem20859
KSC493I1F
SBB073292
TRA0009720
ST2408484
AB0034646

MDL Number

MFCD01075158

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 1,4-Dimethyl-1H-pyrazole (CAS: 1072-68-0)?

1,4-Dimethyl-1H-pyrazole (CAS: 1072-68-0) falls under the GHS classification as a flammable liquid. It is subject to REACH regulations in the European Union, requiring registration if manufactured or imported in quantities above one tonne annually. Additionally, the FDA and EPA have specific requirements for its use in pharmaceuticals and pesticides, respectively. Proper handling, storage, and disposal should comply with local and national regulations.

Are there alternatives to 1,4-Dimethyl-1H-pyrazole (CAS: 1072-68-0) in synthesis?

There are several alternatives to 1,4-Dimethyl-1H-pyrazole (CAS: 1072-68-0) in synthesis, including 1,2-Dimethyl-1H-pyrazole and 1,3-Dimethyl-1H-pyrazole. Commonly used alternative reagents include substituted pyridines and pyrazoles. These alternatives can offer similar functionalities with varying reactivity and selectivity, depending on the specific synthetic pathway.

What is the market or research trend for 1,4-Dimethyl-1H-pyrazole (CAS: 1072-68-0)?

The market for 1,4-Dimethyl-1H-pyrazole (CAS: 1072-68-0) is steadily growing, driven by its applications in pharmaceuticals, agrochemicals, and as a precursor in polymer synthesis. Research trends include the development of new synthetic methods and the exploration of its use in catalysis. Increased interest in sustainable chemistry and green chemistry is also driving innovation in the use of this compound.

How should waste containing 1,4-Dimethyl-1H-pyrazole (CAS: 1072-68-0) be handled?

Waste containing 1,4-Dimethyl-1H-pyrazole (CAS: 1072-68-0) should be collected in appropriate containers labeled with proper hazard information. For small quantities, it can be incinerated in a controlled incinerator. For larger quantities, professional waste disposal services should be utilized. Environmental protection measures include ensuring no spills occur and that waste is handled in accordance with local environmental regulations to prevent contamination of soil and water resources.