Product Name

  • Name

    4-(Chloromethyl)-1H-imidazole hydrochloride

  • EINECS
  • CAS No. 38585-61-4
  • Article Data9
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 140oC
  • Formula C4H5 Cl N2 . Cl H
  • Boiling Point
  • Molecular Weight 153.011
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 38585-61-4 (4-(Chloromethyl)-1H-imidazole hydrochloride)
  • Hazard Symbols Xi
  • Synonyms 1H-Imidazole,4-(chloromethyl)-, monohydrochloride (9CI); 4-(Chloromethyl)imidazolehydrochloride; 4-Chloromethyl-1H-imidazole hydrochloride
  • PSA 28.68000
  • LogP 1.95050

4-(Chloromethyl)-1H-imidazole hydrochloride Chemical Properties

Molecular Structure of 4-(Chloromethyl)-1H-imidazole hydrochloride (CAS NO.38585-61-4):

IUPAC Name: 5-(Chloromethyl)-1H-imidazole hydrochloride
Canonical SMILES: C1=C(NC=N1)CCl.Cl
InChI: InChI=1S/C4H5ClN2.ClH/c5-1-4-2-6-3-7-4;/h2-3H,1H2,(H,6,7);1H
InChIKey: FASMXPUFMXBVRL-UHFFFAOYSA-N
Molecular Weight: 153.00984 [g/mol]
Molecular Formula: C4H6Cl2N2
H-Bond Donor: 2
H-Bond Acceptor: 1 
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 151.990804
MonoIsotopic Mass: 151.990804
Topological Polar Surface Area: 28.7
Heavy Atom Count: 8
Complexity: 57.7
Flash Point: 182.6 °C
Enthalpy of Vaporization: 54.85 kJ/mol
Boiling Point:  328.8 °C at 760 mmHg
Vapour Pressure: 0.000355 mmHg at 25 °C
Appearance: Beige Solid
Melting Point: 140 °C
Product Categories: Heterocycles

4-(Chloromethyl)-1H-imidazole hydrochloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05103,

4-(Chloromethyl)-1H-imidazole hydrochloride Safety Profile

Safety Information of 4-(Chloromethyl)-1H-imidazole hydrochloride (CAS NO.38585-61-4):
Hazard Codes: IrritantXi

4-(Chloromethyl)-1H-imidazole hydrochloride Specification

 4-(Chloromethyl)-1H-imidazole hydrochloride (CAS NO.38585-61-4), its Synonyms are 4(5)-Chloromethylimidazole hydrochloride ; Imidazole, 4-chloromethyl-, hydrochloride ; 1H-Imidazole, 4-(chloromethyl)-, monohydrochloride (9CI) ; 4-(Chloromethyl)imidazolehydrochloride .

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