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Merck
CN

67560

1-Methylimidazole

puriss., ≥99.0% (GC)

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About This Item

Empirical Formula (Hill Notation):
C4H6N2
CAS Number:
616-47-7
Molecular Weight:
82.10
EC Number:
210-484-7
UNSPSC Code:
12352100
PubChem Substance ID:
329760616
Beilstein/REAXYS Number:
105197
MDL number:
MFCD00005292

Key Documents

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vapor pressure

0.4 mmHg ( 20 °C)

grade

puriss.

assay

≥99.0% (GC)

autoignition temp.

977 °F

expl. lim.

15.7 %

refractive index

n20/D 1.495 (lit.), n20/D 1.497

bp

198 °C (lit.)

mp

−6 °C (lit.)

density

1.03 g/mL at 25 °C (lit.)

SMILES string

Cn1ccnc1

InChI

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

InChI key

MCTWTZJPVLRJOU-UHFFFAOYSA-N

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Other Notes

Catalyst for the mild analytical acetylation of hydroxy compounds

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Eye Dam. 1 - Repr. 2 - Skin Corr. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 2

flash_point_f

197.6 °F - closed cup

flash_point_c

92 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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K.A. Connors et al.
Analytical Chemistry, 50, 1542-1542 (1978)
L.A. Dee et al.
Analytical Chemistry, 52, 572-572 (1980)
Zhan-Yong Wang et al.
The Journal of organic chemistry, 77(15), 6608-6614 (2012-07-19)
A well-defined NHC-Pd(II)-Im complex 1 was found to be an effective catalyst for the Suzuki-Miyaura coupling of aryl sulfonates including tosylates and phenylsulfonates with arylboronic acids, giving the desired coupling products in good to high yields. Acceptable yields can also
Bhaskar Sharma et al.
The journal of physical chemistry. A, 115(10), 1971-1984 (2011-02-22)
Quantum chemical [MP2(FULL)/6-311++G-(d,p)] calculations are done on the binding of hydrated Li(+), Na(+), K(+), Mg(2+), Cu(+), and Zn(2+) metal ions with biologically relevant heteroaromatics such as imidazole and methylimidazole. The computed interaction energies are found to be in good agreement
Catharine J Collar et al.
Journal of chemical information and modeling, 50(9), 1611-1622 (2010-09-02)
Tricyclic N-methylpyrrole (Py) and N-methylimidazole (Im) containing polyamide monocations are known to bind as stacked dimers within the minor groove of DNA, and those with N-terminal formamido (f) substituents bind in a staggered configuration with high specificity over a range
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