ChemicalBook CAS DataBase List 616-47-7

616-47-7

Name	1-Methylimidazole
CAS	616-47-7
EINECS(EC#)	210-484-7
Molecular Formula	C4H6N2
MDL Number	MFCD00005292
Molecular Weight	82.1
MOL File	616-47-7.mol

Synonyms

1-methyl-1h-imidazole 1-METHYLIMIDAZOLE LUPRAGEN(R) NMI methyl imidazole N-METHYLIMIDAZOLE 1-methyl-1h-imidazol 1-methyl-imidazol Imidazole, 1-methyl- N-methylimidazole (1-methylimidazole) N-methyl midazole N-methyl glyoxaline CAP B (1-METHYLIMIDAZOLE 12% IN ACETONIT 1-Methylimidazole, >=99%, purified by redistillation CAP B (1-METHYLIMIDAZOLE 10% IN THF)* CAP B (1-METHYLIMIDAZOLE 10% IN CAP B (1-METHYLIMIDAZOLE 16% IN THF)* 1-METHYLIMIDAZOLE, FOR DNA SYNTHESIS 1-Methylimdazole 1H-Imidazole, 1-methyl- 1-methylimidazole solution

Chemical Properties

Appearance	Clear colorless to yellow liquid
Melting point	−60 °C(lit.)
Boiling point	198 °C(lit.)
density	1.03 g/mL at 25 °C(lit.)
vapor pressure	0.4 mm Hg ( 20 °C)
refractive index	n20/D 1.495(lit.)
Fp	198 °F
storage temp.	Store at RT.
solubility	Chloroform (Slightly), Methanol (Slightly)
form	Liquid
pka	6.95(at 25℃)
color	Clear colorless to yellow
Specific Gravity	1.031
PH	9.5-10.5 (50g/l, H2O, 20℃)
PH Range	9.5 - 11.5 at 100 g/l at 20 °C
Stability:	Stable, but moisture sensitive. Incompatible with acids, acid anhydrides, strong oxidizing agents, moisture, carbon dioxide, acid chlorides.
biological source	synthetic
explosive limit	2.7-15.7%(V)
Water Solubility	Miscible with water.
Sensitive	Hygroscopic
Usage	A metabolite of 1-methyl-2-thioimidazole (methimazole). It inhibits bone resorption.
Detection Methods	GC,NMR
BRN	105197
Henry's Law Constant	6.9×10¹ mol/(m³Pa) at 25℃, Du et al. (2017)
InChI	1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
InChIKey	MCTWTZJPVLRJOU-UHFFFAOYSA-N
SMILES	Cn1ccnc1
LogP	-0.19 at 25℃
CAS DataBase Reference	616-47-7(CAS DataBase Reference)
NIST Chemistry Reference	1H-Imidazole, 1-methyl-(616-47-7)
EPA Substance Registry System	616-47-7(EPA Substance)

Safety Data

Symbol(GHS)	GHS05,GHS06
Signal word	Danger
Hazard statements	H302-H311-H314
Precautionary statements	P270-P280-P301+P312-P301+P330+P331-P303+P361+P353-P305+P351+P338
Hazard Codes	C,Xn,F
Risk Statements	R21/22:Harmful in contact with skin and if swallowed . R34:Causes burns. R19:May form explosive peroxides. R11:Highly Flammable. R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S1/2:Keep locked up and out of the reach of children . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S16:Keep away from sources of ignition-No smoking . S33:Take precautionary measures against static discharges . S29:Do not empty into drains . less more
RIDADR	UN 3267 8/PG 2
WGK Germany	1
RTECS	NI7000000
F	3-10
Autoignition Temperature	977 °F
TSCA	Yes
REACH Registrations	Active
HazardClass	8
PackingGroup	III
HS Code	29332990
Storage Class	6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 3 Dermal Acute Tox. 4 Oral Eye Dam. 1 Repr. 2 Skin Corr. 1B
Toxicity	LD50 orally in Rabbit: 1144 mg/kg LD50 dermal Rabbit > 400 - < 640 mg/kg less more

Raw materials And Preparation Products

Hazard Information

Chemical Properties

Clear colorless to yellow liquid

Uses

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

Definition

ChEBI: A 1H-imidazole having a methyl substituent at the N-1 position.

Preparation

1-Methylimidazole is prepared mainly by two routes industrially. The main one is acid-catalysed methylation of imidazole by methanol. The second method involves the Radziszewski reaction from glyoxal, formaldehyde, and a mixture of ammonia and methylamine.
(CHO)2 + CH2O + CH3NH2 + NH3 → H2C2N(NCH3)CH + 3 H2O
The compound can be synthesized on a laboratory scale by methylation of imidazole at the pyridine-like nitrogen and subsequent deprotonation. Similarly, 1-methylimidazole may be synthesized by first deprotonating imidazole to form a sodium salt followed by methylation.
H2C2N(NH)CH + CH3I → [H2C2(NH)(NCH3)CH]I
[H2C2(NH)(NCH3)CH]I + NaOH → H2C2N(NCH3)CH + H2O + NaI

General Description

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Flammability and Explosibility

Notclassified

Purification Methods

Dry it with sodium metal and then distil it. Store it at 0o under dry argon. The picrate has m 159.5-160.5o (from H2O). [Beilstein 23 III/IV 568.]

Toxicity evaluation

Acute toxicity:Harmful if swallowed. Toxic in contact with skin. LD50 Oral:1144 mg/kg, LD50 Dermal:400-640 mg/kg.

References

[1] You J, et al. Effect of 1-Methylimidazole on CO2 Absorption by Diethylenetriamine (DETA) Aqueous Solutions. Chemical Engineering & Technology, 2017; 40: 2238-2242.

Material Safety Data Sheet(MSDS)

Spectrum Detail

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