ChemicalBook--->CAS DataBase List--->616-47-7

616-47-7

616-47-7 Structure

616-47-7 Structure
IdentificationMore
[Name]

1-Methylimidazole
[CAS]

616-47-7
[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
[EINECS(EC#)]

210-484-7
[Molecular Formula]

C4H6N2
[MDL Number]

MFCD00005292
[Molecular Weight]

82.1
[MOL File]

616-47-7.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)
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 .
[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 .
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Imidazole-->Dimethyl carbonate-->4-Chloro-3-nitrobenzoic acid-->1,2-Dimethylimidazole
[Preparation Products]

Chlorpyrifos-->1-Methyl-1H-imidazole-5-carbonyl chloride hydrochloride-->1-Methyl-1H-imidazole-2-carboxylic acid-->Chlorpyrifos-methyl-->1-Butyl-3-methylimidazolium hexafluorophosphate-->1-Butyl-3-methylimidazolium tetrafluoroborate-->1-Methyl-1H-imidazole-2-carbonyl chloride,97%-->Nizofenone-->1-Methyl-2-imidazolecarboxaldehyde-->1-Ethyl-3-methylimidazolium tetrafluoroborate-->1-Ethyl-3-methylimidazolium dicyanamide-->Ethyl 2-(1-methyl-1H-imidazol-2-yl)-2-oxoacetate-->Losartan-->Ethyl 1-methyl-1H-imidazole-2-carboxylate-->1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide-->Naphazoline hydrochloride-->1-Fluoro-4-iodobenzene-->1-Butyl-3-methylimidazolium bromide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Methyl-1H-imidazole(616-47-7).msds
Hazard InformationBack Directory
[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]

We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product has been enhanced for catalysis. Find details here.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

1-Methylimidazole(616-47-7)MS
1-Methylimidazole(616-47-7)1HNMR
1-Methylimidazole(616-47-7)13CNMR
1-Methylimidazole(616-47-7)IR1
1-Methylimidazole(616-47-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Methylimidazole, 99%(616-47-7)
[Alfa Aesar]

1-Methylimidazole, 99%(616-47-7)
[Sigma Aldrich]

616-47-7(sigmaaldrich)
[TCI AMERICA]

1-Methylimidazole,>99.0%(GC)(616-47-7)
616-47-7 suppliers list
Company Name: Shanghai Rolead Chemical Technology Co., Ltd.  Gold
Telephone: 021-69992220 13701886816
Website: www.shrolead.com
Company Name: Jiangxi JinKai Chemical Co.,Ltd  Gold
Telephone: 15376072011
Website: http://www.jximidazole.cn
Company Name: Fuxin Kaituo Fine Chemical Technology Co., Ltd  Gold
Telephone: 15714082442
Website:
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  Gold
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: Changzhou Success Chemical Co., Ltd.  Gold
Telephone: 18961148122; 18961148122
Website: https://www.chemicalbook.com/ShowSupplierProductsList349237/0.htm
Company Name: Jinan Xinda Chemical Co. LTD  Gold
Telephone: 18615526239
Website: www.chemicalbook.com/showsupplierproductslist255266/0_en.htm
Company Name: Nanjing Hengweisheng Pharmaceutical Technology Co., Ltd  Gold
Telephone: 13357739131 13357739131
Website: www.chemicalbook.com/showsupplierproductslist445115/0_en.htm
Company Name: JINANJINGSHENGHUAGONGYOUXIANGONGSI  Gold
Telephone: 178-66616785 15795376785
Website: www.chemicalbook.com/supplier/25613234/
Company Name: Jinan New Era Chemical Co., Ltd.  Gold
Telephone: 0531-84319199 18660131512
Website: http://www.jnxsdchem.com/
Company Name: Hubei Hengjie Chemical Co., Ltd  Gold
Telephone: 15623078521; 15623078521
Website:
Company Name: Shandong YingLang Chemical Co.,Ltd  Gold
Telephone: 18266343295
Website: www.sdylhg.com
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: 3B Pharmachem (Wuhan) International Co.,Ltd.  
Telephone: 18930552037
Website: www.chemicalbook.com/showsupplierproductslist13285/0_en.htm
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TAIYUAN RHF CO.,LTD.  
Telephone: +86 351 7031519
Website: www.rhfchem.com
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Beijing dtftchem Technology Co., Ltd.  
Telephone: 010-60275820 13031183356
Website: www.dtfchem.com
Tags:616-47-7 Related Product Information
143390-89-0 288-32-4 18156-74-6 872-50-4 120-94-5 96-33-3 99-76-3 14769-73-4 822-36-6 5380-42-7 693-98-1 530-62-1 1072-63-5 1739-84-0 74-83-9 298-00-0 80-73-9 146-80-5