1-Allyl-1H-imidazole

Basic Information

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CAS Number

31410-01-2

Molecular Formula

C6H8N2

Molecular Weight

108.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

116°C/16mmHg

Water Solubility

It is soluble in water.

Flash Point

101 ºC

Refractive Index

1.503-1.505

SMILES

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C=CCN1C=CN=C1

InChI

InChI=1S/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H2

InChIKey

XLXCHZCQTCBUOX-UHFFFAOYSA-N

LogP

1.0691

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

80.6

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

C93464
M6Y3FS79AQ
NS00029082
DTXSID30185339
W-106905
1-Allylimidazole
1H-Imidazole, 1-(2-propenyl)-
UNII-M6Y3FS79AQ
1-(prop-2-en-1-yl)-1H-imidazole
1-Allyl-1H-imidazole #
ALLYLIMIDAZOLE
AS-12574
InChI=1/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H
1-Allyl-1H-imidazole
MFCD00037894
CS-0157993
6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one2,2-dioxide
31410-01-2
EINECS 250-618-1
1-allyl imidazole
Imidazole, 1-allyl-
Z104477560
AKOS000120407
1-prop-2-enylimidazole
N-Allylimidazole
SCHEMBL83887
EN300-20278
FT-0607307
1-allyl-1H-imidazole
1-ALLYLIMIDAZOLE OR N-ALLYLIMIDAZOLE
1-(2-propenyl)imidazole

MDL Number

MFCD00037894

Customs Code

2933290090

FAQ

What is 1-Allyl-1H-imidazole (CAS: 31410-01-2)?

1-Allyl-1H-imidazole is an organic compound with the molecular formula C6H9N2. It is a heterocyclic compound containing an imidazole ring with an allyl substituent. This compound is colorless or white crystalline solid with a distinctive odor.

What are the main uses of 1-Allyl-1H-imidazole (CAS: 31410-01-2)?

1-Allyl-1H-imidazole is primarily used as a reagent in organic synthesis, particularly in the preparation of other imidazole derivatives. It is also used as a therapeutic agent, specifically in the treatment of certain parasitic infections such as trichomoniasis and as a fungicide in agriculture.

Is 1-Allyl-1H-imidazole (CAS: 31410-01-2) safe?

1-Allyl-1H-imidazole is considered safe for industrial use when handled properly. However, it is important to take precautions such as wearing personal protective equipment (PPE) like gloves and safety glasses. Avoid skin contact and inhalation of the compound. In case of accidental exposure, wash the affected area thoroughly with water.

How should 1-Allyl-1H-imidazole (CAS: 31410-01-2) be stored?

1-Allyl-1H-imidazole should be stored in a cool, dry place away from direct sunlight and heat sources. Store it in a tightly closed container to prevent moisture absorption. Maintain a temperature below 25°C and keep it away from incompatible materials such as strong acids and oxidizers.