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1-Methylimidazole(CAS No. 616-47-7)

1-Methylimidazole C4H6N2 (cas 616-47-7) Molecular Structure

616-47-7 Structure

Identification and Related Records

【Name】
1-Methylimidazole
【CAS Registry number】
616-47-7
【Synonyms】
Cap B (1-methylimidazole 16% in THF)
Cap B (1-methylimidazole 10% in THF)
Cap B (1-methylimidazole 12% in acetonitrile/pyridine 78 : 10)
1-methyl-1H-imidazole
methyl imidazole
N-Methylimidazole
N-methyl imidazole
【EINECS(EC#)】
210-484-7
【Molecular Formula】
C4H6N2 (Products with the same molecular formula)
【Molecular Weight】
82.10384
【Inchi】
InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
【InChIKey】
MCTWTZJPVLRJOU-UHFFFAOYSA-N
【Canonical SMILES】
CN1C=CN=C1
【MOL File】
616-47-7.mol

Chemical and Physical Properties

【Appearance】
Colorless transparent liquid
【Density】
1.03
【Melting Point】
-60℃
【Boiling Point】
198℃
【Refractive Index】
1.4955-1.4975
【Flash Point】
92℃
【Water】
soluble in water
【Solubilities】
soluble in water
【Stability】
Stable, but moisture sensitive. Incompatible with acids, acid anhydrides, strong oxidizing agents, moisture, carbon dioxide, acid chlorides.
【HS Code】
29332990
【Storage temp】
Store at RT.
【Computed Properties】
Molecular Weight:82.10384 [g/mol]
Molecular Formula:C4H6N2
XLogP3:-0.1
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:0
Exact Mass:82.053098
MonoIsotopic Mass:82.053098
Topological Polar Surface Area:17.8
Heavy Atom Count:6
Formal Charge:0
Complexity:44.8
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
C:Corrosive
【Risk Statements】
R21/22;R34
【Safety Statements 】
S1/2;S26;S36;S45
【HazardClass】
8
【Safety】
Hazard Codes:C,Xn,F
Risk Statements:21/22-34-19-11-20/21/22
21/22:Harmful by inhalation, in contact with skin and if swallowed
34:Causes burns
19:May form explosive peroxides
11:Highly Flammable
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements:26-36-45-1/2-36/37/39-16-33-29
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
1/2:Keep locked up and out of the reach of children
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
16:Keep away from sources of ignition - No smoking
33:Take precautionary measures against static discharges
29:Do not empty into drains
RIDADR:UN 3267 8/PG 2
WGK Germany:1
HazardClass:8
PackingGroup:III
HS Code:29332990
【PackingGroup 】
III
【Sensitive】
Hygroscopic
【Transport】
UN 3267 8/PG 2
【Specification】

Clear colorless to yellow liquid
usageEng:A metabolite of 1-methyl-2-thioimidazole (methimazole). It inhibits bone resorption.
Safety Statements:26-36-45-1/2-36/37/39-16-33-29
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
1/2:Keep locked up and out of the reach of children
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
16:Keep away from sources of ignition - No smoking
33:Take precautionary measures against static discharges
29:Do not empty into drains

Use and Manufacturing

【Usage】

A metabolite of 1-methyl-2-thioimidazole (methimazole). It inhibits bone resorption.

Biomedical Effects and Toxicity

【Therapeutic Uses】
A metabolite of 1-methyl-2-thioimidazole (methimazole). It inhibits bone resorption.

Supplier Location

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Telephone:86-21-60542966
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Business Type:Manufacturer
Telephone:86-27-87465837

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