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2-Methylimidazole

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
Storage
Store under inert gas, 2-8℃
Color/Form
Solid
Complexity
44.8
Covalently-Bonded Unit Count
1
EC Number
211-765-7
Exact Mass
82.053098g/mol
Formal Charge
0
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
6
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
0
Signal Word
Danger
Specific Gravity
1.16
UNII
T0049Z45LZ
Vapor Pressure
6.9X10-4 mm Hg at 25 °C (est)
XLogP3
0.2
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