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3-bromo-5-phenyl-1H-1,2,4-triazole(SALTDATA: FREE)

3-bromo-5-phenyl-1H-1,2,4-triazole(SALTDATA: FREE) structure

CAS No:
15777-59-0
Formula:
C8H6BrN3
Chemical Name:
3-bromo-5-phenyl-1H-1,2,4-triazole(SALTDATA: FREE)
Synonyms:
3-bromo-5-phenyl-1H-1,2,4-triazole;5-bromo-3-phenyl-1H-1,2,4-triazole;SCHEMBL3006018;SCHEMBL17731684;SCHEMBL18284706;DTXSID20480921;4965AD;BBL032369;STL146861;ZINC40457299

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3-bromo-5-phenyl-1H-1,2,4-triazole(SALTDATA: FREE) Basic Attributes

Molecular Weight：

224.05734

Exact Mass：

222.975

DSSTox ID：

DTXSID20480921

Characteristics

PSA：

41.6

XLogP3：

2.7

Density：

1.651±0.06 g/cm3(Predicted)

Boiling Point：

394.2±25.0 °C(Predicted)

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|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:224.06
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:222.97451
Monoisotopic Mass:222.97451
Topological Polar Surface Area:41.6
Heavy Atom Count:12
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-bromo-5-phenyl-1H-1,2,4-triazole(SALTDATA: FREE)

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

3-bromo-5-phenyl-1H-1,2,4-triazole(SALTDATA: FREE)

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