1-Methyl-1H-imidazole | CAS No. 616-47-7

Q: What is 1-Methyl-1H-imidazole (CAS: 616-47-7)?

1-Methyl-1H-imidazole, with the CAS number 616-47-7, is a heterocyclic organic compound containing an imidazole ring substituted with a methyl group at the 1-position. It is a colorless liquid with a slightly aromatic odor and is commonly used as an intermediate in chemical synthesis. Its molecular formula is C4H6N2, and it exhibits basic properties due to the presence of the imidazole ring.

Q: What are the main uses of 1-Methyl-1H-imidazole (CAS: 616-47-7)?

1-Methyl-1H-imidazole is widely used in pharmaceuticals as a building block for drug synthesis, particularly in the development of antifungal and antimicrobial agents. It also serves as a catalyst in industrial processes and is utilized in research for the preparation of various organic compounds. Additionally, it finds application in the food industry as a flavor enhancer and in the production of certain dyes and pigments.

Q: Is 1-Methyl-1H-imidazole (CAS: 616-47-7) safe?

1-Methyl-1H-imidazole is generally considered safe when handled properly, but it may cause skin and eye irritation. It is important to follow safety protocols, such as wearing protective gloves, goggles, and clothing. Proper ventilation is recommended during use, and it should be stored in a well-ventilated area. Safety standards include compliance with OSHA and REACH regulations to ensure safe handling and disposal.

Q: How should 1-Methyl-1H-imidazole (CAS: 616-47-7) be stored?

1-Methyl-1H-imidazole should be stored in a tightly sealed container in a cool, dry, and well-ventilated area. It is stable under normal storage conditions but should be protected from light and moisture. The recommended storage temperature is between 0°C and 25°C, and it is advisable to keep it away from incompatible materials to maintain its chemical integrity.

1-Methyl-1H-imidazole

Basic Information

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CAS Number

616-47-7

Molecular Formula

C4H6N2

Molecular Weight

82.11 g/mol

EINECS

210-484-7

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

−6 °C

Boiling Point

198 °C

Density

1.03 g/mL at 25 °C<br />1.034-1.036 g/mL

Water Solubility

Miscible with water.

Refractive Index

n20/D 1.495(lit.)

Vapor Pressure

0.4 mmHg ( 20 °C)

SMILES

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CN1C=CN=C1

InChI

InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3

InChIKey

MCTWTZJPVLRJOU-UHFFFAOYSA-N

LogP

0.4200999999999999

pKa

6.95(at 25℃)

Topological Polar Surface Area

17.82 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

44.8

Safety Information

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GHS Hazard Pictograms

H225

H314

H335

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

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

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

Hazard Class

Class 8 Class 8

Storage Conditions

Store below +30°C.

Stability

Stable, but moisture sensitive. Incompatible with acids, acid anhydrides, strong oxidizing agents, moisture, carbon dioxide, acid chlorides.

Sensitiveness

Hygroscopic

Auto-ignition Temperature

977 °F

Explosive Limit

2.7-15.7%(V)

Toxicity

LD50 orally in Rabbit: 1144 mg/kg LD50 dermal Rabbit > 400 - < 640 mg/kg

RTECS

NI7000000

Synonyms & References

English

NCGC00015702-03
NCGC00015702-01
1-Methylimidazole, ReagentPlus(R), 99%
Araldite DY 070
N-methyl-imidazol
1H-Imidazole, 1-methyl-
Q-200126
NSC 88064
InChI=1/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H
NCGC00261516-01
1-Methyl-1H-imidazole;N-Methylimidazole;1H-Imidazole, 1-methyl-
SR-01000076013
NSC88064
CS-W008580
1-methyl imidazole
NS00009025
NCGC00015702-02
N-Methylimidazole
PD015169
1-methyl-(1H)-imidazole
NCGC00357222-01
LP00831
M0508
CAS-616-47-7
Lopac-M-8878
BDBM7884
MFCD00005292
NCGC00094162-02
Tox21_500831
EINECS 210-484-7
Z104506032

MDL Number

MFCD00005292

EC Number

210-484-7

Customs Code

2933290090

FAQ

What is 1-Methyl-1H-imidazole (CAS: 616-47-7)?

1-Methyl-1H-imidazole, with the CAS number 616-47-7, is a heterocyclic organic compound containing an imidazole ring substituted with a methyl group at the 1-position. It is a colorless liquid with a slightly aromatic odor and is commonly used as an intermediate in chemical synthesis. Its molecular formula is C4H6N2, and it exhibits basic properties due to the presence of the imidazole ring.

What are the main uses of 1-Methyl-1H-imidazole (CAS: 616-47-7)?

1-Methyl-1H-imidazole is widely used in pharmaceuticals as a building block for drug synthesis, particularly in the development of antifungal and antimicrobial agents. It also serves as a catalyst in industrial processes and is utilized in research for the preparation of various organic compounds. Additionally, it finds application in the food industry as a flavor enhancer and in the production of certain dyes and pigments.

Is 1-Methyl-1H-imidazole (CAS: 616-47-7) safe?

1-Methyl-1H-imidazole is generally considered safe when handled properly, but it may cause skin and eye irritation. It is important to follow safety protocols, such as wearing protective gloves, goggles, and clothing. Proper ventilation is recommended during use, and it should be stored in a well-ventilated area. Safety standards include compliance with OSHA and REACH regulations to ensure safe handling and disposal.

How should 1-Methyl-1H-imidazole (CAS: 616-47-7) be stored?

1-Methyl-1H-imidazole should be stored in a tightly sealed container in a cool, dry, and well-ventilated area. It is stable under normal storage conditions but should be protected from light and moisture. The recommended storage temperature is between 0°C and 25°C, and it is advisable to keep it away from incompatible materials to maintain its chemical integrity.