Ternidazole
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Ternidazole
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CAS No:
1077-93-6
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Formula:
C7H11N3O3
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Chemical Name:
Ternidazole
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Synonyms:
1H-Imidazole-1-propanol,2-methyl-5-nitro-;Imidazole-1-propanol,2-methyl-5-nitro-;2-Methyl-5-nitro-1H-imidazole-1-propanol;1-(3-Hydroxypropyl)-2-methyl-5-nitroimidazole;Ternidazole;2-Methyl-5-nitroimidazole-1-propanol;1-(3-Hydroxypropyl)-2-methyl-5-nitro-1H-imidazole
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CAS No:
Characteristics
83.9
1.00530
1.38±0.1 g/cm3(Predicted)
130 °C
419.9±25.0 °C(Predicted)
207.8ºC
1.595
8.4E-08mmHg at 25°C
138.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]|152.9 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with Waters Major Mix]
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:185.18
XLogP3:-1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:185.08004122
Monoisotopic Mass:185.08004122
Topological Polar Surface Area:83.9
Heavy Atom Count:13
Complexity:182
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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CN
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