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CAS No.: | 16265-04-6 |
---|---|
Name: | 2-Chloro-1H-imidazole |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C3H3ClN2 |
Molecular Weight: | 102.523 |
Synonyms: | Imidazole,2-chloro- (8CI);2-Chloroimidazole; |
Density: | 1.405 g/cm3 |
Melting Point: | 165-170 °C |
Boiling Point: | 252.7 °C at 760 mmHg |
Flash Point: | 131.1 °C |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 22-37/38-41 |
Safety: | 26-36/39 |
PSA: | 28.68000 |
LogP: | 1.06310 |
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The 2-Chloro-1H-imidazole, with the CAS registry number 16265-04-6, is also known as ZINC02577855. It belongs to the product categories of Blocks; Imidazoles; Imidazol & Benzimidazole. This chemical's molecular formula is C3H3ClN2 and molecular weight is 102.52232. Its IUPAC name is called 2-chloro-1H-imidazole.
Physical properties of 2-Chloro-1H-imidazole: (1)ACD/LogP: 0.39; (2)ACD/LogD (pH 5.5): 0.29; (3)ACD/LogD (pH 7.4): 0.39; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.16; (6)ACD/KOC (pH 5.5): 31.17; (7)ACD/KOC (pH 7.4): 38.67; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.562; (11)Molar Refractivity: 23.67 cm3; (12)Molar Volume: 72.9 cm3; (13)Surface Tension: 53.1 dyne/cm; (14)Density: 1.405 g/cm3; (15)Flash Point: 131.1 °C; (16)Enthalpy of Vaporization: 49.01 kJ/mol; (17)Boiling Point: 252.7 °C at 760 mmHg; (18)Vapour Pressure: 0.019 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN=C(N1)Cl
(2)InChI: InChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
(3)InChIKey: OCVXSFKKWXMYPF-UHFFFAOYSA-N