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Home > Encyclopedia > 1H-1,2,4-Triazole-3-carboxylicacid,5-bromo-,methylester

1H-1,2,4-Triazole-3-carboxylicacid,5-bromo-,methylester

1H-1,2,4-Triazole-3-carboxylicacid,5-bromo-,methylester structure

1H-1,2,4-Triazole-3-carboxylicacid,5-bromo-,methylester 

structure
  • CAS No:

    704911-47-7

  • Formula:

    C4H4BrN3O2

  • Chemical Name:

    1H-1,2,4-Triazole-3-carboxylicacid,5-bromo-,methylester

  • Synonyms:

    1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo-, methyl ester;methyl 3-bromo-1H-1,2,4-triazole-5-carboxylate(SALTDATA: FREE);Methyl 5-broMo-4H-[1,2,4]triazole-3-carboxylate;Methyl 5-BroMo-1,2,4-triazole-3-carboxylate;5-Bromo-1H-1,2,4-triazole-3-carboxylic acid methyl ester;methyl 5-bromo-1H-1,2,4-triazole-3-carboxylate, methyl 5-bromo-1,2,4-triazole-3-carboxylate

1H-1,2,4-Triazole-3-carboxylicacid,5-bromo-,methylester Basic Attributes

206

204.94869

DTXSID00478669

2933990090

Characteristics

67.87000

0.35380

1.902±0.06 g/cm3

352.1±25.0 °C(Predicted)

5.62±0.40

Safety Information

IRRITANT

|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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:206.00
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:204.94869
Monoisotopic Mass:204.94869
Topological Polar Surface Area:67.9
Heavy Atom Count:10
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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