Product Name

  • Name

    2-(CHLOROMETHYL)-1-METHYL-1H-IMIDAZOLE HYDROCHLORIDE

  • EINECS
  • CAS No. 78667-04-6
  • Article Data11
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 175 °C
  • Formula C5H7ClN2.ClH
  • Boiling Point 243.7 °C at 760 mmHg
  • Molecular Weight 167.038
  • Flash Point 101.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes  C:Corrosive;
  • Molecular Structure Molecular Structure of 78667-04-6 (2-(CHLOROMETHYL)-1-METHYL-1H-IMIDAZOLE HYDROCHLORIDE)
  • Hazard Symbols R34:Causes burns.;
  • Synonyms 1H-Imidazole,2-(chloromethyl)-1-methyl-, monohydrochloride (9CI);Imidazole, 2-(chloromethyl)-1-methyl-,hydrochloride (6CI);1-Methyl-2-(chloromethyl)imidazole hydrochloride;2-(Chloromethyl)-1-methyl-1H-imidazole hydrochloride;2-(Chloromethyl)-1-methylimidazole hydrochloride;
  • PSA 17.82000
  • LogP 1.96090

1H-Imidazole,2-(chloromethyl)-1-methyl-, hydrochloride (1:1) Specification

This chemical is called 1H-Imidazole,2-(chloromethyl)-1-methyl-, hydrochloride (1:1), and its systematic name is 2-(chloromethyl)-1-methyl-1H-imidazole hydrochloride. With the molecular formula of C5H8Cl2N2, its molecular weight is 167.04. The CAS registry number of this chemical is 78667-04-6. 

Other characteristics of 1H-Imidazole,2-(chloromethyl)-1-methyl-, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.69; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.37; (8)ACD/KOC (pH 7.4): 25.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Flash Point: 101.2 °C; (14)Enthalpy of Vaporization: 46.13 kJ/mol; (15)Boiling Point: 243.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0493 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cl.ClCc1nccn1C
2.InChI: InChI=1/C5H7ClN2.ClH/c1-8-3-2-7-5(8)4-6;/h2-3H,4H2,1H3;1H
3.InChIKey: JDIPKQBKSBWIKU-UHFFFAOYAA
4.Std. InChI: InChI=1S/C5H7ClN2.ClH/c1-8-3-2-7-5(8)4-6;/h2-3H,4H2,1H3;1H
5.Std. InChIKey: JDIPKQBKSBWIKU-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View