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Home > Encyclopedia > 3,4-DIFLUOROBENZOYLACETONITRILE

3,4-DIFLUOROBENZOYLACETONITRILE

3,4-DIFLUOROBENZOYLACETONITRILE structure

3,4-DIFLUOROBENZOYLACETONITRILE 

structure
  • CAS No:

    71682-97-8

  • Formula:

    C9H5F2NO

  • Chemical Name:

    3,4-DIFLUOROBENZOYLACETONITRILE

  • Synonyms:

    3-(3',4'-DIFLUOROPHENYL)-3-OXOPROPANENITRILE;3,4-DIFLUOROBENZOYLACETONITRILE;3,4-DIFLUORO-BETA-OXO-BENZENEPROPANENITRILE;UKRORGSYN-BB BBV-060125;3,4-Difluoro-b-oxo-benzenepropanenitrile;3-(3,4-Difluorophenyl);3-Oxo-3-(3,4-difluorophenyl)propanenitrile

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

3,4-DIFLUOROBENZOYLACETONITRILE Basic Attributes

181.14

181.033920

DTXSID70374240

2926909090

Characteristics

40.9

1.9

1.3±0.1 g/cm3

321.3°C at 760 mmHg

137.7±25.1 °C

1.498

Safety Information

36/37/38

26-36/37/39

|Warning|H302 (100%): 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:181.14
XLogP3:1.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:181.03392011
Monoisotopic Mass:181.03392011
Topological Polar Surface Area:40.9
Heavy Atom Count:13
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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