ChemicalBook--->CAS DataBase List--->693-98-1

693-98-1

693-98-1 Structure

693-98-1 Structure
IdentificationMore
[Name]

2-Methylimidazole
[CAS]

693-98-1
[Synonyms]

2-Methyl-1H-imidazole
2-METHYLGLYOXALINE
2-METHYLIMIDAZOLE
2MI
AKOS BBS-00004447
RESICURE(TM) 46
1H-Imidazole,2-methyl-
2-methyl-1h-imidazol
2-methyl-imidazol
2MZ
Glyoxalethyline
Imidazole, 2-methyl-
p-Oxal-methyline
Flucythrinate PESTANAL
2-Methylimidazole,97%
2-METHYLIMIDAZOLE pure
Curezol 2MZ
Denka CN 25
[EINECS(EC#)]

211-765-7
[Molecular Formula]

C4H6N2
[MDL Number]

MFCD00005190
[Molecular Weight]

82.1
[MOL File]

693-98-1.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystalline powder
[Melting point ]

142-143 °C (lit.)
[Boiling point ]

267-268 °C (lit.)
[bulk density]

550kg/m3
[density ]

1.0500 (rough estimate)
[vapor pressure ]

<1 mm Hg ( 0 °C)
[refractive index ]

1.4970 (estimate)
[Fp ]

155 °C
[storage temp. ]

2-8°C
[solubility ]

780g/l
[form ]

Crystalline Powder
[pka]

14.44±0.10(Predicted)
[color ]

White to light yellow
[PH]

10.5-11.5 (100g/l, H2O, 20℃)
[PH Range]

10.5
[Water Solubility ]

Soluble in water and ethanol.
[BRN ]

1368
[Henry's Law Constant]

8.1×102 mol/(m3Pa) at 25℃, Du et al. (2017)
[InChI]

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

LXBGSDVWAMZHDD-UHFFFAOYSA-N
[SMILES]

Cc1ncc[nH]1
[LogP]

0.22 at 25℃
[CAS DataBase Reference]

693-98-1(CAS DataBase Reference)
[IARC]

2B (Vol. 101) 2013
[NIST Chemistry Reference]

1H-Imidazole, 2-methyl-(693-98-1)
[EPA Substance Registry System]

693-98-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS05,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H302-H314-H351-H360Df
[Precautionary statements ]

P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
[Hazard Codes ]

C
[Risk Statements ]

R22:Harmful if swallowed.
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S25:Avoid contact with eyes .
[RIDADR ]

UN 3259 8/PG 2
[WGK Germany ]

2
[RTECS ]

NI7175000
[Autoignition Temperature]

>600 °C DIN 51794
[Hazard Note ]

Harmful/Corrosive
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29332990
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Oral
Carc. 2
Eye Dam. 1
Repr. 1B
Skin Corr. 1C
[Hazardous Substances Data]

693-98-1(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 1500 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ammonia-->Acetonitrile-->Ethylenediamine-->Glyoxal-->Acetaldehyde-->2-Methyl-2-imidazoline-->1,8-Diaminooctane-->Imidazole-2-carboxaldehyde-->1,12-Dodecanediamine-->2-Methyl-4(5)-iodo-1(H)-imidazole
[Preparation Products]

Ondansetron-->5-Bromo-1,2-dimethyl-1H-imidazole-->1,2-Dimethyl-5-nitroimidazole-->Metronidazole-->2-Methyl-5-nitroimidazole-->1-Benzyl-2-methyl-1H-imidazole-->2-Methyl-4-nitroimidazole-->1-(2-Hydroxyethyl)-2-methylimidazole-->Hexamethylenediamine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Methylimidazole(693-98-1).msds
Hazard InformationBack Directory
[Hazard]

Possible carcinogen.
[Chemical Properties]

2-Methylimidazole is a white to light yellow crystalline powder with an amine-like odor. It is highly soluble in polar organic solvents.
[Uses]

2-Methylimidazole is a monomethylated imidazole that can be used as a building block in the preparation of a wide range of biologically active compounds. 2-Methylimidazole as well as other imidazoles can be use as catalyst for refolding of enhanced coloured fluorescent protein. 2-Methylimidazole has been identified as a byproduct of fermentation and is detected in foods and mainstream and side-str eam tobacco smoke.
[Uses]

Hardener or accelerator for epoxy
[Preparation]

2-Methylimidazole is prepared by condensation of glyoxal, ammonia and acetaldehyde, a Radziszewski reaction. It is widely used as a polymeriza tion cross-linking accelerator and a hardener for epoxy resin systems for semiconductor potting compounds and soldering masks.
It is obtained by eliminating dehydrogenation of 2-methylimidazoline. 2-methylimidazoline heated to melt (melting point 107 ℃), carefully add active nickel, raise the temperature to 200-210 ℃ reaction 2h. cool down to below 150 ℃, add water to dissolve, while hot pressure filtration, separation of active nickel, the filter Chemicalbook liquid concentrated to a temperature of 140 ℃ or more, put the material cooling that 2-methylimidazole. Use the method to produce purity of ≥ 98% of the product, 1t product consumption of ethylenediamine (95%) 1095kg, acetonitrile 975kg. better method is to use glyoxal and aldehyde as raw materials.
[General Description]

Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
[Flammability and Explosibility]

Notclassified
[Purification Methods]

Recrystallise 2-methylimidazole from *benzene or pet ether. The picrate has m 215o (from H2O). [Beilstein 23 III/IV 594, 23/5 V 35.]
[Toxicity evaluation]

2-Methylimidazole is harmful if swallowed and may cause severe skin burns and eye damage from exposure. It is also associated with adverse effects such as neurotoxins, reproductive toxins and toxic pneumonia. In vitro studies have shown a mouse LD50: 480 mg/kg (intraperitoneal); 1400 mg/kg (oral).
[References]

[1] Hachu?a B, et al. Crystal and Molecular Structure Analysis of 2-Methylimidazole. Journal of Chemical Crystallography, 2009; 40: 201–206.
Questions And AnswerBack Directory
[Detection method]

Fluorescence detection method: Using o-phenylenediamine as the carbon source and phytic acid as the phosphorus source, two P-rich carbon quantum dots RCD and BCD were successfully synthesized by changing the reaction temperature and time of the hydrothermal method. The study found that the red-emitting RCD can achieve sensitive detection of 2-Methylimidazole, while 2-methylimidazole has no obvious quenching effect on the blue-emitting BCD, which makes RCD a sensitive, fast and selective fluorescence sensor for 2-methylimidazole detection. Under the optimal experimental conditions, the fluorescence intensity of RCDs decreases with the increase of 2-methylimidazole concentration; the carbon quantum dot sensor shows a good linear relationship in the detection of 2-methylimidazole concentration in the range of 5 ~ 110 µM, and the minimum detection limit is 0.61 µM (S/N = 3). The sensor can detect 2-methylimidazole in lake water and can be used for the detection of actual samples[2].
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylimidazole(693-98-1)MS
2-Methylimidazole(693-98-1)1HNMR
2-Methylimidazole(693-98-1)13CNMR
2-Methylimidazole(693-98-1)IR1
2-Methylimidazole(693-98-1)IR2
2-Methylimidazole(693-98-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methylimidazole, 99%(693-98-1)
[Alfa Aesar]

2-Methylimidazole, 97%(693-98-1)
[Sigma Aldrich]

693-98-1(sigmaaldrich)
[TCI AMERICA]

2-Methylimidazole,>97.0%(GC)(T)(693-98-1)
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