-
Name
IMIDAZOLE HYDROCHLORIDE
- EINECS 604-535-6
- CAS No. 1467-16-9
- Article Data4
- CAS DataBase
- Density
- Solubility 50 mg/mL, clear, colorless in water
- Melting Point 158-161 °C(lit.)
- Formula C3H4N2.ClH
- Boiling Point 257 °C at 760 mmHg
- Molecular Weight 104.539
- Flash Point 145 °C
- Transport Information
- Appearance white powder
- Safety 26-36
- Risk Codes 36/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 1H-Imidazole,monohydrochloride (9CI);Imidazole, monohydrochloride (8CI);Imidazolehydrochloride;Imidazolium chloride;
- PSA 28.68000
- LogP 1.21170
Imidazole hydrochloride Specification
The IUPAC name of 1H-Imidazole, monohydrochloride is 1H-imidazol-1-ium chloride . With the CAS registry number 1467-16-9, it is also named as 1H-Imidazole hydrochloride (1:1) ; Imidazolium chloride . The product's categories are imidazoles, pyrroles, building blocks, heterocyclic building blocks and biological buffers.
The 1H-Imidazole, monohydrochloride is white powder which should be stored at RT.. It is stable and hygroscopic. This product is incompatible with strong oxidizing agents. It is irritating to eyes and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.16 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -2.03 ; (4)ACD/LogD (pH 7.4): -0.5 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 1 ; (8)ACD/KOC (pH 7.4): 8.87 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 1 ; (11)#Freely Rotating Bonds: 0 ; (12)Enthalpy of Vaporization: 47.46 kJ/mol ; (13)Vapour Pressure: 0.024 mmHg at 25°C ; (14)Tautomer Count: 2 ; (15)Exact Mass: 104.014126 ; (16)MonoIsotopic Mass: 104.014126 ; (17)Topological Polar Surface Area: 29 ; (18)Heavy Atom Count: 6.
People can use the following data to convert to the molecule structure. SMILES: [Cl-].n1cc[nH+]c1; InChI: InChI=1/C3H4N2.ClH/c1-2-5-3-4-1;/h1-3H,(H,4,5);1H; InChIKey: JDIIGWSSTNUWGK-UHFFFAOYAD.
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