1-Methyl-1H-imidazole-4-carbonitrile

Basic Information

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CAS Number

66121-69-5

Molecular Formula

C5H5N3

Molecular Weight

107.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

76 °C

Boiling Point

314.1°C at 760 mmHg

Density

1.12

Flash Point

314.1 °C at 760 mmHg

Refractive Index

1.579

SMILES

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CN1C=C(N=C1)C#N

InChI

InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3

InChIKey

LAKVILSENFFPRR-UHFFFAOYSA-N

LogP

0.29178

Complexity

123

Safety Information

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Hazard Statement

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

A835342
AC-29053
4-cyano-1-methylimidazole
SCHEMBL1918865
LAKVILSENFFPRR-UHFFFAOYSA-N
1-methylimidazole-4-carbonitrile
MFCD06411537
PB20172
P10362
CS-W006510
SY041685
AS-50492
66121-69-5
DTXSID00383547
Q-103113
AM86039
1H-Imidazole-4-carbonitrile, 1-methyl-
AKOS006345443
EN300-126273
Z1116366025
1-METHYL-1H-IMIDAZOLE-4-CARBONITRILE
4-Cyano-1-methyl-1H-imidazole
FT-0655176
CHEBI:194871
1H-Imidazole-4-carbonitrile,1-methyl-
AMOT0445
1-Methyl-4-cyano-1H-imidazole
1-methyl-4-imidazolecarbonitrile
SBB067690
RP00451
1-methyl-1H-imidazole-4-carbonitrile

MDL Number

MFCD06411537

Customs Code

2933290090

FAQ

What regulatory guidelines apply to 1-Methyl-1H-imidazole-4-carbonitrile (CAS: 66121-69-5)?

1-Methyl-1H-imidazole-4-carbonitrile (CAS: 66121-69-5) falls under the scope of both REACH and GHS regulations. It must comply with specific handling, storage, and disposal guidelines. FDA and EPA regulations also apply for its use in pharmaceutical and agricultural applications. Ensure to follow all local and international safety and environmental regulations.

Are there alternatives to 1-Methyl-1H-imidazole-4-carbonitrile (CAS: 66121-69-5) in synthesis?

There are several alternatives to 1-Methyl-1H-imidazole-4-carbonitrile (CAS: 66121-69-5) in synthesis, including 1H-imidazole-4-carbonitrile and related imidazole derivatives. Common alternatives include 2-Methylimidazole and 1-Methylimidazole, which can serve similar functional roles in various reactions.

What is the market or research trend for 1-Methyl-1H-imidazole-4-carbonitrile (CAS: 66121-69-5)?

The market for 1-Methyl-1H-imidazole-4-carbonitrile (CAS: 66121-69-5) is growing due to its applications in pharmaceuticals and organic synthesis. Research trends focus on its use as a building block for drug development and in the synthesis of other chemicals. The rising demand in these sectors is expected to drive market growth.

How should waste containing 1-Methyl-1H-imidazole-4-carbonitrile (CAS: 66121-69-5) be handled?

Waste containing 1-Methyl-1H-imidazole-4-carbonitrile (CAS: 66121-69-5) should be collected in appropriate containers and stored in a well-ventilated area. Incineration or professional waste disposal services are recommended. Ensure to follow all environmental protection precautions and local regulations to minimize environmental impact.