Chromoionophore XI

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Chromoionophore XI

Chromoionophore XI | 138833-46-2

Catelog Number A15-0010
Category pH Indicators
Molecular Formula C38H48O5
Molecular Weight 584.78
Catalog Number Size Price Quantity
A15-0010 -- $--

Product Introduction

Chromoionophore XI is a lipophilic fluorescent pH indicator.

Chemical Information

Synonyms Fluorescein octadecyl ester; octadecyl 2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate
IUPAC Name octadecyl 2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate
Canonical SMILES CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O
InChI InChI=1S/C38H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-42-38(41)32-21-18-17-20-31(32)37-33-24-22-29(39)27-35(33)43-36-28-30(40)23-25-34(36)37/h17-18,20-25,27-28,39H,2-16,19,26H2,1H3
InChI Key UDHKRSZNYLYOEP-UHFFFAOYSA-N

Product Specification

Signal Warning
GHS Hazard Statements H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties

XLogP3 11.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 20
Exact Mass 584.35017463 g/mol
Monoisotopic Mass 584.35017463 g/mol
Topological Polar Surface Area 72.8Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 961
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
EP-3929576-A1 Method of forming an acrylate-based ionic sensor and corresponding apparatus 2020-06-25
WO-2021185857-A2 A microfluidic device, production of a microfluidic device and method and system for performing inorganic determinations 2020-03-17
US-11193915-B2 Composite material for the detection of chemical species 2015-11-27
EP-3314239-A1 Systems and methods for optochemical imaging of a chemically active surface 2015-06-23
US-2018292325-A1 Systems and methods for optochemical imaging of a chemically active surface 2015-06-23
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