4-Iodo-1-methyl-1H-pyrazole

Basic Information

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CAS Number

39806-90-1

Molecular Formula

C4H5IN2

Molecular Weight

208 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

59-64 °C

Boiling Point

226.9℃ at 760 mmHg

Density

2.0700

Flash Point

91.1°C

Refractive Index

1.681

SMILES

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CN1C=C(C=N1)I

InChI

InChI=1S/C4H5IN2/c1-7-3-4(5)2-6-7/h2-3H,1H3

InChIKey

RSDRDHPLXWMTRJ-UHFFFAOYSA-N

LogP

1.0247

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

66.7

Safety Information

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GHS Hazard Pictograms

H315

H318

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-Iodo-1-methyl-1H-pyrazole, 97%
1H-Pyrazole,4-iodo-1-methyl-
39806-90-1
AKOS000302125
1-methyl-4-iodopyrazole
AC-6391
4-Iodo-1-methyl-1H-pyrazole
1-methyl-4-iodo pyrazole
SY023308
Z957334240
4-iodo-1-methylpyrazole
FT-0647394
4-iodo-1-methyl-pyrazole
1H-Pyrazole, 4-iodo-1-methyl-
J-504949
AM62770
A6644
SB21931
1-Methyl-4-iodo-1H-pyrazole
YSWG293
RSDRDHPLXWMTRJ-UHFFFAOYSA-N
BB 0254657
MFCD05663860
PS-5800
SCHEMBL360179
CS-W004080
4-iodo-1-methyl-1H-pyrazole;1-Methyl-4-iodo-1H-pyrazole
N-methyl-4-iodopyrazole
BCP13736
I0829
DTXSID00370497

MDL Number

MFCD05663860

Customs Code

2933199090

FAQ

What regulatory guidelines apply to 4-Iodo-1-methyl-1H-pyrazole (CAS: 39806-90-1)?

4-Iodo-1-methyl-1H-pyrazole (CAS: 39806-90-1) is subject to regulation under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the EU, and FDA and EPA guidelines in the USA. It is classified as a potentially harmful substance and requires appropriate handling and labeling as per these regulations.

Are there alternatives to 4-Iodo-1-methyl-1H-pyrazole (CAS: 39806-90-1) in synthesis?

Alternatives to 4-Iodo-1-methyl-1H-pyrazole (CAS: 39806-90-1) include other pyrazoles with different substituents, such as 4-chloro-1-methyl-1H-pyrazole or 4-fluoro-1-methyl-1H-pyrazole, which can be used in various synthetic reactions as functional equivalents.

What is the market or research trend for 4-Iodo-1-methyl-1H-pyrazole (CAS: 39806-90-1)?

The market for 4-Iodo-1-methyl-1H-pyrazole (CAS: 39806-90-1) is growing due to its potential applications in pharmaceuticals and materials science. Research is focusing on its use as an intermediate in drug synthesis and as a component in the development of new materials with unique properties.

How should waste containing 4-Iodo-1-methyl-1H-pyrazole (CAS: 39806-90-1) be handled?

Waste containing 4-Iodo-1-methyl-1H-pyrazole (CAS: 39806-90-1) should be collected in appropriate containers and disposed of according to local regulations. It is recommended to incinerate or professionally dispose of such waste, ensuring proper protective measures and handling to prevent environmental contamination.