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Potassium Benzo[d][1,3]dioxol-5-yltrifluoroborate

Potassium Benzo[d][1,3]dioxol-5-yltrifluoroborate

Name: Potassium Benzo[d][1,3]dioxol-5-yltrifluoroborate
Brand: BOC Sciences
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Molecular Formula:

C7H5F3O2BK

Molecular Weight:

228.02

CAS Number:

871231-46-8

Catalog Number:

871231-46-8

Product Information

Molecular Formula:

C7H5F3O2BK

Molecular Weight:

228.02

Description

Potassium Benzo[d][1,3]dioxol-5-yltrifluoroborate (CAS# 871231-46-8) is a useful research chemical compound.

Synonyms

potassium;1,3-benzodioxol-5-yl(trifluoro)boranuide; potassium;1,3-benzodioxol-5-yl(trifluoro)boranuide

IUPAC Name

potassium;1,3-benzodioxol-5-yl(trifluoro)boranuide

Canonical SMILES

[B-](C1=CC2=C(C=C1)OCO2)(F)(F)F.[K+]

InChI

InChI=1S/C7H5BF3O2.K/c9-8(10,11)5-1-2-6-7(3-5)13-4-12-6;/h1-3H,4H2;/q-1;+1

InChI Key

DGKKZZSEXSGSIG-UHFFFAOYSA-N

Melting Point

236-242 °C

Purity

97 %

Appearance

Solid

LogP

1.46970

Safety Information

Hazards

H315-H319-H335

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

227.9971755 g/mol

Monoisotopic Mass

227.9971755 g/mol

Topological Polar Surface Area

18.5Å²

Heavy Atom Count

Formal Charge

Complexity

202

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
KR-101492961-B1	Justicidin a derivatives of arylnaphthalene lignan structure and method for producing the same	2013-01-31
KR-20140098466-A	Justicidin a derivatives of arylnaphthalene lignan structure and method for producing the same	2013-01-31
US-2015336938-A1	Method for preparation of justicidin a derivatives of arylnaphthalene lignan structure	2013-01-31
US-9650355-B2	Method for preparation of justicidin a derivatives of arylnaphthalene lignan structure	2013-01-31
WO-2014119892-A1	Method for preparation of justicidin a derivatives of arylnaphthalene lignan structure	2013-01-31
AU-2013340896-A1	Pressure process	2012-10-31
AU-2013340896-A2	Pressure process	2012-10-31
AU-2013340896-B2	Pressure process	2012-10-31
EP-2914563-A1	Pressure process	2012-10-31
JP-2016500645-A	Printing method	2012-10-31