VITAS-BB TBB013027
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VITAS-BB TBB013027
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CAS No:
5848-04-4
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Formula:
C9H8FN3
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Chemical Name:
VITAS-BB TBB013027
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Synonyms:
VITAS-BB TBB013027;4-(4-Fluorophenyl)-1H-pyrazol-3-amine, 5-Amino-4-(4-fluorophenyl)-1H-pyrazole, 3-Amino-4-(4-fluorophenyl)-1H-pyrazole;1H-Pyrazol-3-amine, 4-(4-fluorophenyl)-;3-amino-4-(4-fluorophenyl)-1H-pyrazole;4-(4-FLUORO PHENYL)-1H-PYRAZOLE-5-AMINE------5848-04-4
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CAS No:
Characteristics
54.7 Ų
1.334±0.06 g/cm3(Predicted)
174～175℃
388.8±32.0 °C(Predicted)
14.94±0.50(Predicted)
Safety Information
|Danger|H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:177.18
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:177.07022543
Monoisotopic Mass:177.07022543
Topological Polar Surface Area:54.7
Heavy Atom Count:13
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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