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Home > Encyclopedia > 3-(Trifluoromethoxy)nitrobenzene

3-(Trifluoromethoxy)nitrobenzene

3-(Trifluoromethoxy)nitrobenzene structure

3-(Trifluoromethoxy)nitrobenzene 

structure
  • CAS No:

    2995-45-1

  • Formula:

    C7H4F3NO3

  • Chemical Name:

    3-(Trifluoromethoxy)nitrobenzene

  • Synonyms:

    3-(TRIFLUOROMETHOXY)NITROBENZENE;1-nitro-3-(trifluoromethoxy)benzene;3-(Trifluoromethoxy)nitrobenzene97%;3-(Trifluoromethoxy)nitrobenzene97%

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

3-(Trifluoromethoxy)nitrobenzene Basic Attributes

207.11

207.014328

DTXSID50380460

2909309090

Characteristics

55

3.4

1.5±0.1 g/cm3

209.4°C at 760 mmHg

80.5±25.9 °C

1.476

0.293mmHg at 25°C

Safety Information

3

R36/37/38

S26-S36

Xi:Irritant;

P261, P264, P270, P271, 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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, 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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:207.11
XLogP3:3.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:207.01432748
Monoisotopic Mass:207.01432748
Topological Polar Surface Area:55
Heavy Atom Count:14
Complexity:213
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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