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Home > Encyclopedia > 5-(4-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

5-(4-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

5-(4-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL structure

5-(4-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL 

structure
  • CAS No:

    39631-33-9

  • Formula:

    C8H6BrN3S

  • Chemical Name:

    5-(4-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL

  • Synonyms:

    5-(4-Bromo-phenyl)-4H-[1,2,4]triazole-3-thiol;5-(4-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol;3-(4-Bromophenyl)-1H-1,2,4-triazole-5(4H)-thione;3-(p-Bromophenyl)-5-mercapto-s-triazole;CHEMBL4128189;CTK8F6443;CTK8I5734;5-(4-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione;DTXSID10357416

5-(4-BROMO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL Basic Attributes

256.13

254.947

DTXSID10357416

2933990090

Characteristics

68.5

2.5

1.83g/cm3

314.6ºC at 760 mmHg

144.1ºC

1.775

Safety Information

IRRITANT

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:256.12
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:254.94658
Monoisotopic Mass:254.94658
Topological Polar Surface Area:68.5
Heavy Atom Count:13
Complexity:246
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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