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4-bromobutyl nitrate

4-bromobutyl nitrate structure

4-bromobutyl nitrate 

structure
  • CAS No:

    146563-40-8

  • Formula:

    C4H8BrNO3

  • Chemical Name:

    4-bromobutyl nitrate

  • Synonyms:

    4-bromobutylnitrate;4-bromobutyl Nitrate;1-Butanol, 4-bromo-,1-nitrate;1-Butanol, 4-bromo-, 1-nitrate;4-nitrooxybutyl bromide;ACMC-1C5FI;1-bromo-4-(nitrooxy)butane;SCHEMBL1319845;CTK4C5017;DTXSID90439582

4-bromobutyl nitrate Basic Attributes

198.016

196.96900

DTXSID90439582

Characteristics

55

1.89300

Safety Information

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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:198.02
XLogP3:2.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:196.96876
Monoisotopic Mass:196.96876
Topological Polar Surface Area:55
Heavy Atom Count:9
Complexity:82.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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