Potassium [4-(Benzyloxy)phenyl]trifluoroborate

Inquiry

Molecular Formula:

C13H11F3OBK

Molecular Weight:

290.13

CAS Number:

850623-47-1

Catalog Number:

850623-47-1

Product Information

Molecular Formula:

C13H11F3OBK

Molecular Weight:

290.13

Description

Potassium [4-(Benzyloxy)phenyl]trifluoroborate (CAS# 850623-47-1) is a useful research chemical.

Synonyms

potassium;trifluoro-(4-phenylmethoxyphenyl)boranuide; potassium;trifluoro-(4-phenylmethoxyphenyl)boranuide

IUPAC Name

potassium;trifluoro-(4-phenylmethoxyphenyl)boranuide

Canonical SMILES

[B-](C1=CC=C(C=C1)OCC2=CC=CC=C2)(F)(F)F.[K+]

InChI

InChI=1S/C13H11BF3O.K/c15-14(16,17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11;/h1-9H,10H2;/q-1;+1

InChI Key

PMDBNNXIBAIJMQ-UHFFFAOYSA-N

Melting Point

232-236 °C

Purity

95 %

LogP

3.32000

Safety Information

Precautionary Statement

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

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

290.0492111 g/mol

Monoisotopic Mass

290.0492111 g/mol

Topological Polar Surface Area

9.2Å²

Heavy Atom Count

Formal Charge

Complexity

249

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
EP-3535244-A1	Spiro-compounds as s1p modulators	2016-11-02
US-2020055817-A1	Spiro-compounds as sip modulators	2016-11-02
WO-2018083171-A1	Spiro-compounds as s1p modulators	2016-11-02
AU-2016314973-A1	Fused heterocyclic compounds as S1P modulators	2015-08-28
CA-2996741-A1	Fused heterocyclic compounds as s1p modulators	2015-08-28
EP-3341369-A1	Fused heterocyclic compounds as s1p modulators	2015-08-28
JP-2018525429-A	Fused heterocyclic compounds as S1P regulators	2015-08-28
TW-201720822-A	Fused heterocyclic compound as S1P regulator	2015-08-28
US-10556907-B2	Fused heterocyclic compounds as S1P modulators	2015-08-28
US-2017057966-A1	Fused heterocyclic compounds as s1p modulators	2015-08-28

Literatures

PMID	Publication Date	Title	Journal
3779	1976-02-01	Detrimental effect of in vitro salivary contamination of acid-etched enamel	Proceedings of the Finnish Dental Society. Suomen Hammaslaakariseuran toimituksia

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