1-Methyl-1H-pyrrole

Basic Information

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CAS Number

96-54-8

Molecular Formula

C5H7N

Molecular Weight

81.12 g/mol

Basic Physical Properties

Melting Point

−57 °C

Boiling Point

112-113 °C

Density

0.914 g/mL at 25 °C

Water Solubility

Soluble in organic solvents such as alcohol and so on, but insoluble in water.

Solubility

13g/l

Refractive Index

n20/D 1.488-1.490

Vapor Pressure

15 mmHg ( 20.2 °C)

SMILES

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Cn1cccc1

InChI

InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3

InChIKey

OXHNLMTVIGZXSG-UHFFFAOYSA-N

LogP

1.0251

Topological Polar Surface Area

4.93 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

37.2

Safety Information

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GHS Hazard Pictograms

H225

H315

H319

H335

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

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

Hazard Class

Class 3 Class 3

Sensitiveness

Sensitive to light

Explosive Limit

1.4-8.5%(V)

Synonyms & References

English

1-Methyl-1H-pyrrole
1-Methylpyrrole
N-Methyl pyrrole
N-Methylpyrrole
1-Methyl-1H-pyrrole (ACI)
Pyrrole, 1-methyl- (8CI)
NSC 65440

MDL Number

MFCD00005345

Customs Code

29339990

FAQ

What is 1-Methyl-1H-pyrrole (CAS: 96-54-8)?

1-Methyl-1H-pyrrole, also known as 3-methylpyrrole, is an organic compound with the chemical formula C5H6N. It is a heterocyclic compound with a pyrrole ring structure. This compound is colorless and has a faint odor. It is commonly used as a precursor in organic synthesis and as a reagent in chemical reactions.

What are the main uses of 1-Methyl-1H-pyrrole (CAS: 96-54-8)?

1-Methyl-1H-pyrrole is primarily used as a reagent in organic synthesis. It is also used in the production of pharmaceuticals, dyes, and other organic compounds. The compound can act as a nucleophile and a mild reducing agent, making it useful in various chemical reactions.

Is 1-Methyl-1H-pyrrole (CAS: 96-54-8) safe?

1-Methyl-1H-pyrrole is generally considered safe for laboratory use when handled properly. However, it is flammable and can pose a fire hazard. It is also slightly toxic and can cause irritation if inhaled or if it comes into contact with the skin. Protective measures include wearing appropriate personal protective equipment (PPE) such as gloves and goggles, and ensuring good ventilation. It should be stored away from sources of ignition and heat, and containers should be securely closed.

How should 1-Methyl-1H-pyrrole (CAS: 96-54-8) be stored?

1-Methyl-1H-pyrrole should be stored in a cool, dry place away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent evaporation and contamination. The storage temperature should be below 25°C. It is important to keep the compound away from incompatible materials such as strong oxidizers. Regular checks should be made to ensure the container is intact and the product is stable.