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