(1-Methyl-1H-pyrazol-3-yl)methanol

Basic Information

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CAS Number

84547-62-6

Molecular Formula

C5H8N2O

Molecular Weight

112.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

243.6°C at 760 mmHg

Density

1.167

Flash Point

101.107°C

Refractive Index

1.552

SMILES

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Cn1ccc(CO)n1

InChI

InChI=1S/C5H8N2O/c1-7-3-2-5(4-8)6-7/h2-3,8H,4H2,1H3

InChIKey

WCKJRVKJTUIAFW-UHFFFAOYSA-N

LogP

-0.08760000000000007

Topological Polar Surface Area

38.05 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

76.8

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-Methyl-1H-pyrazol-3-yl)methanol
(1-methylpyrazol-3-yl)methanol
1H-Pyrazole-3-methanol,1-methyl-
(1-methylpyrazol-3-yl)methan-1-ol
1H-Pyrazole-3-methanol,1-methyl
1-methyl-3-hydroxymethylpyrazole
1-methylpyrazole-3-methanol
3-(Hydroxymethyl)-1-methyl-1H-pyrazole
3-hydroxymethyl-1-methylpyrazole
(1-methyl-1H-pyrazol-3-yl)methanol

MDL Number

MFCD08690274

Customs Code

2933199090

FAQ

What are the physical and chemical properties of (1-Methyl-1H-pyrazol-3-yl)methanol (CAS: 84547-62-6)?

The compound (1-Methyl-1H-pyrazol-3-yl)methanol has a crystalline form with a molecular weight of approximately 134.17 g/mol. It is moderately soluble in water and more soluble in organic solvents. Chemically, it is a reducing agent and can undergo nucleophilic substitution reactions. It is also prone to condensation reactions under certain conditions.

How is (1-Methyl-1H-pyrazol-3-yl)methanol (CAS: 84547-62-6) typically synthesized?

The compound (1-Methyl-1H-pyrazol-3-yl)methanol is typically synthesized via a condensation reaction between 1-methylpyrazole and methanol in the presence of an acid catalyst such as sulfuric acid. The reaction is conducted under mild conditions to achieve high yield and selectivity.

What industries use (1-Methyl-1H-pyrazol-3-yl)methanol (CAS: 84547-62-6)?

The compound (1-Methyl-1H-pyrazol-3-yl)methanol is used in the pharmaceutical industry for its role as a precursor in the synthesis of drugs. It also finds applications in the polymer industry for modifying polymer properties, in the sensor industry for developing gas sensors, and in the semiconductor industry for its potential use in organic electronics.

What precautions should be taken when handling (1-Methyl-1H-pyrazol-3-yl)methanol (CAS: 84547-62-6)?

When handling (1-Methyl-1H-pyrazol-3-yl)methanol, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and lab coat. The compound should be stored in a cool, dry place away from direct sunlight and should be handled in a well-ventilated area or fume hood. In case of spill, it should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. For detailed safety information, refer to the Safety Data Sheet (SDS).