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Home > Encyclopedia > 2,3,6-TRIFLUOROISONICOTINIC ACID

2,3,6-TRIFLUOROISONICOTINIC ACID

2,3,6-TRIFLUOROISONICOTINIC ACID structure

2,3,6-TRIFLUOROISONICOTINIC ACID 

structure
  • CAS No:

    675602-92-3

  • Formula:

    C6H2F3NO2

  • Chemical Name:

    2,3,6-TRIFLUOROISONICOTINIC ACID

  • Synonyms:

    2,3,6-Trifluoropyridine-4-carboxylic acid;2,3,6-Trifluoroisonicotinic acid;2, 3, 6-Trifluoroisonicotinic acid;MFCD03840204;SCHEMBL3387152;CTK2F2583;DTXSID80382331;ZINC2513200;7939AE;BBL100611

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

2,3,6-TRIFLUOROISONICOTINIC ACID Basic Attributes

177.08

177.00400

DTXSID80382331

2933399090

Characteristics

50.2

1.19710

1.642g/cm3

115-121 °C

377.8ºC at 760 mmHg

182.3ºC

1.491

Safety Information

IRRITANT

NONH for all modes of transport

3

36/37/38

26-36

Xi

P261-P305 + P351 + P338

H315-H319-H335

|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|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:177.08
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:177.00376279
Monoisotopic Mass:177.00376279
Topological Polar Surface Area:50.2
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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