4-(Chloromethyl)-1H-Imidazole Hydrochloride

Base Information

• Chemical Name: 4-(Chloromethyl)-1H-Imidazole Hydrochloride
• CAS No.: 38585-61-4
• Deprecated CAS: 31036-72-3
• Molecular Formula: C4H5 Cl N2 . Cl H
• Molecular Weight: 153.011
• Hs Code.: 2933299090
• European Community (EC) Number: 807-725-9
• NSC Number: 82914
• DSSTox Substance ID: DTXSID80191905
• Mol file: 38585-61-4.mol

Synonyms:38585-61-4;4-(Chloromethyl)-1H-Imidazole Hydrochloride;4-Chloromethyl-1H-imidazole hydrochloride;5-(chloromethyl)-1H-imidazole hydrochloride;1H-Imidazole, 4-(chloromethyl)-, monohydrochloride;4-(chloromethyl)-1h-imidazole hcl;NSC 82914;4(5)-Chloromethylimidazole hydrochloride;Imidazole, 4-chloromethyl-, hydrochloride;4-(CHLOROMETHYL)-1H-IMIDAZOLE, HCL;5-(chloromethyl)-1H-imidazole;hydrochloride;4-Chloromethylimidazole HCl;Imidazole, hydrochloride;C4H5ClN2.ClH;4-(CHLOROMETHYL)IMIDAZOLE HYDROCHLORIDE;4-Chloromethyl-1H-imidazole;C4-H5-Cl-N2.Cl-H;SCHEMBL2053484;DTXSID80191905;BCP14266;NSC82914;4-chloromethylimidazole hydrochloride;MFCD01721661;NSC-82914;AKOS015949399;AKOS026676161;AB09871;AM90206;CS-W005424;DS-17607;LS-78289;5-(CHLOROMETHYL)-1H-IMIDAZOLE HCL;4-(Chloromethyl)-1H-ImidazoleHydrochloride;A4961;FT-0654802;4-chloromethyl-1H-imidazole hydrogen chloride;EN300-152996;5-(chloromethyl)-1H-imidazole hydrochloride salt;A824201;W-206853;4-CHLOROMETHYL-1(3)H-IMIDAZOLE HYDROCHLORIDE;1H-Imidazole, 5-(chloromethyl)-, hydrochloride (1:1);4-(Chloromethyl)-1H-imidazole hydrochloride, AldrichCPR;F1905-6450

Chemical Property of 4-(Chloromethyl)-1H-Imidazole Hydrochloride

Chemical Property:

• Melting Point: 140oC
• PSA: 28.68000
• LogP: 1.95050
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Ethanol, Methanol, Tetrahydrofuran, Toluene
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 151.9908036
• Heavy Atom Count: 8
• Complexity: 57.7

Purity/Quality:

99% ^*data from raw suppliers

4-Chloromethy-1H-imidazole Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=N1)CCl.Cl
• Uses: 4-Chloromethyl-1H-imidazole Hydrochloride (cas# 38585-61-4) is a compound useful in organic synthesis.

Technology Process of 4-(Chloromethyl)-1H-Imidazole Hydrochloride

There total 3 articles about 4-(Chloromethyl)-1H-Imidazole Hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

4-hydroxymethyl-1H-imidazole hydrochloride (32673-41-9) → 4-(chloromethyl)-1H-imidazole hydrochloride (38585-61-4)

Guidance literature:

With thionyl chloride; In benzene; at 90 ℃;

DOI:10.1021/jo00293a039

Reference yield:

→ 4-(chloromethyl)-1H-imidazole hydrochloride (38585-61-4)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

→ 4-(chloromethyl)-1H-imidazole hydrochloride (38585-61-4)

Guidance literature:

upstream raw materials:

4-hydroxymethyl-1H-imidazole hydrochloride

Downstream raw materials:

4-phenoxymethyl-1⁽³⁾H-imidazole

4-methyl-1H-imidazole

4-imidazolylmethylphenyl sulfide hydrochloride

3-(imidazol-4-yl)-2,2-diphenylpropanenitrile

Refernces

• 1、 Matziari, Magdalini,Bauer, Karl,Dive, Vincent,Yiotakis, Athanasios. "Synthesis of the phosphinic analogue of thyrotropin releasing hormone". supporting information; scheme or table. p. 8591 - 8593. Retrieved 2009/04/11.
• 2、 Huang,Sirieix,de Viguerie,Riviere,Lattes. "Synthesis of multifunctional surfactants for elaboration of micellar model systems of enzymes". . p. 250 - 255. Retrieved 2007/10/03.