5-(3-BROMO-PHENYL)-1H-PYRAZOLE
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5-(3-BROMO-PHENYL)-1H-PYRAZOLE
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CAS No:
149739-65-1
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Formula:
C9H7BrN2
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Chemical Name:
5-(3-BROMO-PHENYL)-1H-PYRAZOLE
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Synonyms:
3-(3-Bromophenyl)-1H-pyrazole;5-(3-bromophenyl)-1H-pyrazole;948294-12-0;5-(3-Bromo-Phenyl)-1H-Pyrazole;1H-Pyrazole, 3-(3-bromophenyl)-;3-(3-bromophenyl)pyrazole;MFCD01940433;1-Bromo-3-(1H-Pyrazol-3-Yl)Benzene;5-(3-bromophenyl)pyrazole;ACMC-1C2W8
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CAS No:
Characteristics
28.7
2.6
1.565±0.06 g/cm3(Predicted)
71-75℃
375.6±17.0 °C(Predicted)
181.0±20.9 °C
1.636
1.66E-05mmHg at 25°C
Safety Information
Ⅲ
UN 2811
3
22
Xn
P301 + P310
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:223.07
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:221.97926
Monoisotopic Mass:221.97926
Topological Polar Surface Area:28.7
Heavy Atom Count:12
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes