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Screening compounds

Dioxylium phosphate

Also known as 1-(4-Ethoxy-3-methoxybenzyl)-6,7-dimethoxy-3-methylisoquinoline phosphate, Isoquinoline, 1-((4-ethoxy-3-methoxyphenyl)methyl)-6,7-dimethoxy-3-methyl-, phosphate, Isoquinoline, 1-(4-ethoxy-3-methoxybenzyl)-6,7-dimethoxy-3-methyl-, phosphate

CAS 6670-95-7Formula C22H28NO8PMolar mass 465.44 g/mol
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Dioxylium phosphate chemical structure, C22H28NO8P, CAS 6670-95-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6670-95-7
Formula
C22H28NO8P
Molar mass
465.44 g/mol
HS code
293349
Category
Screening compounds

What is Dioxylium phosphate?

Plain description, key identifiers and synonyms

Dioxylium phosphate is a chemical substance with the molecular formula C22H28NO8P and a molar mass of 465.44 g/mol. Its CAS registry number is 6670-95-7. The IUPAC name is dihydrogen phosphate, 1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinolin-2-ium.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
dihydrogen phosphate, 1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinolin-2-ium
CAS number
6670-95-7Other or deprecated CAS: 5667-46-9
Molecular formula
C22H28NO8P
InChI
InChI=1S/C22H25NO4.H3O4P/c1-6-27-19-8-7-15(11-20(19)24-3)10-18-17-13-22(26-5)21(25-4)12-16(17)9-14(2)23-18;1-5(2,3)4/h7-9,11-13H,6,10H2,1-5H3;(H3,1,2,3,4)
SMILES (canonical and isomeric)
CCOC1=C(C=C(C=C1)CC2=[NH+]C(=CC3=CC(=C(C=C32)OC)OC)C)OC.OP(=O)(O)[O-]

Synonyms

  • 1-(4-Ethoxy-3-methoxybenzyl)-6,7-dimethoxy-3-methylisoquinoline phosphate
  • Isoquinoline, 1-((4-ethoxy-3-methoxyphenyl)methyl)-6,7-dimethoxy-3-methyl-, phosphate
  • Isoquinoline, 1-(4-ethoxy-3-methoxybenzyl)-6,7-dimethoxy-3-methyl-, phosphate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
465.44 g/molcalc.
Exact mass
465.1553 Dacalc.
LogP (octanol/water)
2.42calc.
Topological polar surface area
131.7 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.32calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(Cc2nccc3ccccc23)cc1

c1ccc(Cc2nccc3ccccc23)cc1

3 rings, 17 atoms, the 1-Benzylisoquinoline ring system.

133 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Dioxylium phosphate suppliers

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Dioxylium phosphate price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Dioxylium phosphate is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Dioxylium phosphate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Dioxylium phosphate, based on the data on this page

What is Dioxylium phosphate?

Dioxylium phosphate is a chemical substance with the molecular formula C22H28NO8P and a molar mass of 465.44 g/mol. Its CAS registry number is 6670-95-7. The IUPAC name is dihydrogen phosphate, 1-[(4-ethoxy-3-methoxyphenyl)methyl]-6,7-dimethoxy-3-methylisoquinolin-2-ium.

What is the CAS number of Dioxylium phosphate?

The CAS registry number of Dioxylium phosphate is 6670-95-7. Other or deprecated CAS numbers: 5667-46-9.

What is the molecular formula and weight of Dioxylium phosphate?

The molecular formula of Dioxylium phosphate is C22H28NO8P and its molar mass is 465.44 g/mol.

What is Dioxylium phosphate used for?

Known uses and roles of Dioxylium phosphate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Dioxylium phosphate hazardous?

No GHS hazard classification for Dioxylium phosphate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Dioxylium phosphate?

Dioxylium phosphate is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dioxylium phosphate?

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What is the price of Dioxylium phosphate?

Suppliers quote Dioxylium phosphate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Dioxylium phosphate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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