CAS 693-98-1 2-Methylimidazole - Materials / Alfa Chemistry

NAVIGATION

2-Methylimidazole

PRICE INQUIRY

Catalog Number

ACM693981

CAS Number

693-98-1

Product Name

2-Methylimidazole

Structure

Category

Hydrogen Storage Materials; Metal Organic Frameworks (MOFs)

Synonyms

2-Methylglyoxaline

Description

DryPowder; OtherSolid

IUPAC Name

2-methyl-1H-imidazole

Molecular Weight

82.11

Molecular Formula

C4H6N2

Canonical SMILES

CC1=NC=CN1

InChI

1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)

InChI Key

LXBGSDVWAMZHDD-UHFFFAOYSA-N

Boiling Point

267.0 °C;267 °C

Melting Point

144 °C

Purity

99%

Density

1.062 g/cm³

Solubility

Very soluble in ethanol;In water, 8.09X10+4 mg/L at 25 °C (est)

Appearance

White to Almost white powder to crystal

Application

2-Methylimidazole serves multiple important functions in various fields. It is primarily used as a raw material in the production of nitroimidazole antibiotics, which are effective against anaerobic bacterial and parasitic infections. In the realm of coordination chemistry, it acts as a ligand. The compound also plays a significant role in the industrial sector, serving as a hardener or accelerator for epoxy resins and aiding as an auxiliary agent for textile dyes. Additionally, 2-methylimidazole is employed as a catalyst in the refolding of enhanced colored fluorescent proteins. It provides a foundational building block for the synthesis of biologically active compounds and is utilized as an intermediate in the production of active pharmaceutical ingredients, including metronidazole and dimetridazole.

Storage

Store under inert gas, 2-8℃

Color/Form

Solid

Complexity

44.8

Covalently-Bonded Unit Count

EC Number

211-765-7

Exact Mass

82.053098g/mol

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.H314 : Causes severe skin burns and eye damage.H360 : May damage fertility or the unborn child.H371 : May cause damage to organs.H373 : May cause damage to organs through prolonged or repeated exposure.H341 : Suspected of causing genetic defects.H351 : Suspected of causing cancer.

Heavy Atom Count

Log P

0.24 (LogP);log Kow = 0.24

MDL Number

MFCD00005190

MeSH Entry Terms

2-methylimidazole;2-methylimidazole hydrochloride;2-methylimidazole, silver (1+) salt;Zn(2-methylimidazole)2

Monoisotopic Mass

82.053098g/mol

NSC Number

21394

Other Experimental

Henry's Law constant = 4.14X10-6 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 9.41X10-11 cu cm/molec-sec at 25 °C (est)

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P202 : Do not handle until all safety precautions have been read and understood.P201 : Obtain special instructions before use.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.P308 + P311 : IF exposed or concerned: Call a POISON CENTER/doctor.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.P405 : Store locked up.

Refractive Index

1.62

Rotatable Bond Count

Signal Word

Danger

Specific Gravity

1.16

UNII

T0049Z45LZ

Vapor Pressure

6.9X10-4 mm Hg at 25 °C (est)

XLogP3