| Identification | Back Directory | [Name]
4-(Chloromethyl)-1H-imidazole hydrochloride | [CAS]
38585-61-4 | [Synonyms]
4-chloromethyl-imidazolhydrochloride
4-Chloromethy-1H-imidazole Hydrochloride
4-Chloromethy-1(3)H-imidazole Hydrochlorid
4-(Chloromethyl)-1H-imidazole hydrochloride
5-(CHLOROMETHYL)-1H-IMIDAZOLE HYDROCHLORIDE
4-Chloromethyl-1(3)H-imidazole Hydrochloride
1H-IMidazole, 4-(chloroMethyl)-, Monohydrochloride
1H-Imidazole, 5-(chloromethyl)-, hydrochloride (1:1)
1H-Imidazole, 4-(chloromethyl)-, monohydrochloride (9CI) | [Molecular Formula]
C4H6Cl2N2 | [MDL Number]
MFCD08234854 | [MOL File]
38585-61-4.mol | [Molecular Weight]
153.01 |
| Chemical Properties | Back Directory | [Appearance]
Beige Solid | [Melting point ]
1400C | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [solubility ]
Ethanol, Methanol, Tetrahydrofuran, Toluene | [form ]
Solid | [color ]
Beige | [InChI]
1S/C4H5ClN2.ClH/c5-1-4-2-6-3-7-4;/h2-3H,1H2,(H,6,7);1H | [InChIKey]
FASMXPUFMXBVRL-UHFFFAOYSA-N | [SMILES]
ClCC1=CNC=N1.[H]Cl |
| Hazard Information | Back Directory | [Chemical Properties]
Beige Solid | [Uses]
4-Chloromethyl-1H-imidazole Hydrochloride (cas# 38585-61-4) is a compound useful in organic synthesis. | [Synthesis]
(A) Synthesis of 4-(chloromethyl)-1H-imidazole hydrochloride
(1) 2 mL of thionyl chloride was dissolved in 20 mL of toluene followed by the addition of 700 mg of 4-hydroxymethylimidazole hydrochloride. The reaction mixture was heated to the reflux temperature of toluene and maintained for 3 hours. Upon completion of the reaction, the mixture was cooled to room temperature and concentrated to dryness under reduced pressure. 4-(Chloromethyl)-1H-imidazole hydrochloride was finally obtained as a white solid (790 mg, 99% yield). | [References]
[1] Journal of Organic Chemistry, 1990, vol. 55, # 6, p. 1890 - 1901
[2] Patent: US5218115, 1993, A
[3] Journal of Organic Chemistry, 2008, vol. 73, # 21, p. 8591 - 8593
[4] Patent: US4847383, 1989, A
[5] Annales pharmaceutiques francaises, 1998, vol. 56, # 6, p. 250 - 255 |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H302-H315-H318-H335 | [Precautionary statements ]
P261-P280-P305+P351+P338 | [Hazard Codes ]
Xi | [WGK Germany ]
WGK 3 | [HS Code ]
2933299090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3 | [Toxicity]
mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05103, |
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