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Home > Encyclopedia > 4,5-Difluoro-2-methoxybenzonitrile

4,5-Difluoro-2-methoxybenzonitrile

4,5-Difluoro-2-methoxybenzonitrile structure

4,5-Difluoro-2-methoxybenzonitrile 

structure
  • CAS No:

    425702-28-9

  • Formula:

    C8H5F2NO

  • Chemical Name:

    4,5-Difluoro-2-methoxybenzonitrile

  • Synonyms:

    Benzonitrile,4,5-difluoro-2-methoxy-;4,5-Difluoro-2-methoxybenzonitrile

4,5-Difluoro-2-methoxybenzonitrile Basic Attributes

169.13

169.13

642-663-4

DTXSID30476375

2926909090

Characteristics

33.02000

1.84508

1.27±0.1 g/cm3

89-90°C

251.1±35.0 °C(Predicted)

105.656ºC

1.485

Safety Information

III

6.1

UN3439

Xi

|Danger|H301+H311+H331 (16.67%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:169.13
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:169.03392011
Monoisotopic Mass:169.03392011
Topological Polar Surface Area:33
Heavy Atom Count:12
Complexity:201
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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