3-Methyl-5-phenyl-1H-1,2,4-triazole
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3-Methyl-5-phenyl-1H-1,2,4-triazole
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CAS No:
3213-91-0
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Formula:
C9H9N3
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Chemical Name:
3-Methyl-5-phenyl-1H-1,2,4-triazole
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Synonyms:
3-Methyl-5-phenyl-1H-1,2,4-triazole;1H-1,2,4-Triazole, 3-methyl-5-phenyl-
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CAS No:
3-Methyl-5-phenyl-1H-1,2,4-triazole Basic Attributes
159.19
159.079647300 g/mol
DTXSID50344087
2933990090
Characteristics
41.57000
1.78010
1.172±0.06 g/cm3
164.5 °C
354.1±25.0 °C(Predicted)
169.8ºC
10.24±0.40
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:159.19
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:159.079647300
Monoisotopic Mass:159.079647300
Topological Polar Surface Area:41.6
Heavy Atom Count:12
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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