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Home > Encyclopedia > 3-Bromo-5-nitrobenzonitrile

3-Bromo-5-nitrobenzonitrile

3-Bromo-5-nitrobenzonitrile structure

3-Bromo-5-nitrobenzonitrile 

structure
  • CAS No:

    49674-15-9

  • Formula:

    C7H3BrN2O2

  • Chemical Name:

    3-Bromo-5-nitrobenzonitrile

  • Synonyms:

    Benzonitrile,3-bromo-5-nitro-;3-Bromo-5-nitrobenzonitrile;3-Nitro-5-bromobenzonitrile

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

3-Bromo-5-nitrobenzonitrile Basic Attributes

227.01

227.01

DTXSID60408907

2926909090

Characteristics

69.6

2.2

1.81

84-85 °C @ Solvent: Water, Ethanol

283℃

125℃

1.639

Safety Information

Xi

P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:227.01
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Exact Mass:225.93779
Monoisotopic Mass:225.93779
Topological Polar Surface Area:69.6
Heavy Atom Count:12
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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