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Home > Encyclopedia > Benzonitrile, 4,5-diamino-2-fluoro- (9CI)

Benzonitrile, 4,5-diamino-2-fluoro- (9CI)

Benzonitrile, 4,5-diamino-2-fluoro- (9CI) structure

Benzonitrile, 4,5-diamino-2-fluoro- (9CI) 

structure
  • CAS No:

    226701-59-3

  • Formula:

    C7H6FN3

  • Chemical Name:

    Benzonitrile, 4,5-diamino-2-fluoro- (9CI)

  • Synonyms:

    4,5-Diamino-2-fluorobenzonitrile;2-fluoro-4,5-diaminobenzonitrile;SCHEMBL2314240;CTK8H6915;ZINC39088448

Benzonitrile, 4,5-diamino-2-fluoro- (9CI) Basic Attributes

151.1410432

151.055

Characteristics

75.8

0.4

Safety Information

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

Benzonitrile, 4,5-diamino-2-fluoro- (9CI) Use and Manufacturing

4,5-Diamino-2-fluorobenzonitrile, can be used as an intermediate in synthesis of more complex pharmaceutical and biologically active compounds, including inhibitors, and therapeutic agents. It is used in the preparation of Indazoles as inhibitors of Tpl2 kinase.

Computed Properties

Molecular Weight:151.14
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:151.05457537
Monoisotopic Mass:151.05457537
Topological Polar Surface Area:75.8
Heavy Atom Count:11
Complexity:185
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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