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Thonzonium bromide chemical structure, C32H55BrN4O, CAS 553-08-2
2D chemical structure

Key facts

What buyers check first

CAS number
553-08-2
Formula
C32H55BrN4O
Molar mass
591.72 g/mol
EC number
209-032-1
HS code
293359
Category
Cationic surfactants

What is Thonzonium bromide?

Plain description, key identifiers and synonyms

Thonzonium Bromide is a cationic surface-active compound. As an additive to pharmacologic formulations, thonzonium bromide causes dispersion and penetration of cellular debris and exudate, thereby promoting tissue contact of the administered medication.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium bromide
CAS number
553-08-2 CAS number cross-checked
EC number
209-032-1
Molecular formula
C32H55BrN4O
UNII
JI2B19CR0R
MDL number
MFCD00133855
InChIKey
WBWDWFZTSDZAIG-UHFFFAOYSA-M
InChI
InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1
SMILES (canonical and isomeric)
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.[Br-]

Synonyms

  • Thonzide
  • Tonzonium bromide
  • Bromuro de tonzonio
  • Bromure de tonzonium
  • Tonzonii bromidum
  • NC 1264
  • 1-Hexadecanaminium, N-(2-(((4-methoxyphenyl)methyl)-2-pyrimidinylamino)ethyl)-N,N-dimethyl-, bromide
  • Ammonium, hexadecyl(2-((p-methoxybenzyl)-2-pyrimidinylamino)ethyl)dimethyl-, bromide
  • tonzonio bromuro
  • Thonzonium (bromide)
  • N-(2-((4-Methoxybenzyl)(pyrimidin-2-yl)amino)ethyl)-N,N-dimethylhexadecan-1-aminium bromide
  • hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium, bromide
  • Tonzonium bromide (INN)
  • Hexadecyl(2-((p-methoxybenzyl)-2-pyrimidinylamino)ethyl)dimethylammonium bromide
  • Hexadecyl(2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl)dimethylammonium bromide
  • Thonzonium Bromide (USAN)
  • Hexadecyl[2-([p-methoxybenzyl]-2-pyrimidinylamino)ethyl]dimethyl-ammonium bromide
  • C32H55BrN4O
  • Tonzoniumbromid
  • Nebair
  • Hexadecyl[2-[(p-methoxybenzyl)-2-pyrimidinylamino]ethyl]dimethylammonium bromide
  • Thonzide (TN)
  • REGID_for_CID_11102
  • Thonzonium (bromide) (Standard)

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
591.72 g/molcalc.
Exact mass
590.3559 Dacalc.
LogP (octanol/water)
5.05calc.
Topological polar surface area
38.25 ร…ยฒcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
22calc.
Heavy atoms
38calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.69calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Fails (2 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(CNc2ncccn2)cc1

c1ccc(CNc2ncccn2)cc1

2 rings, 14 atoms, the N-Benzylpyrimidin-2-amine ring system.

297 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H318Causes serious eye damage.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Thonzonium bromide suppliers

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Where suppliers are based

2 suppliers in 2 countries

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Thonzonium bromide 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

Industries and functions

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 Thonzonium bromide is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Thonzonium bromide, based on the data on this page

What is Thonzonium bromide?

Thonzonium Bromide is a cationic surface-active compound. As an additive to pharmacologic formulations, thonzonium bromide causes dispersion and penetration of cellular debris and exudate, thereby promoting tissue contact of the administered medication.

What is the CAS number of Thonzonium bromide?

The CAS registry number of Thonzonium bromide is 553-08-2.

What is the molecular formula and weight of Thonzonium bromide?

The molecular formula of Thonzonium bromide is C32H55BrN4O and its molar mass is 591.72 g/mol.

What is Thonzonium bromide used for?

Known uses and roles of Thonzonium bromide include surfactants in home care and cleaning.

Is Thonzonium bromide hazardous?

Thonzonium bromide carries the GHS signal word "Danger". Main hazards: harmful if swallowed, harmful in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Thonzonium bromide?

Thonzonium bromide is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ringโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thonzonium bromide?

CompoundList lists 2 suppliers of Thonzonium bromide in Canada and China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Thonzonium bromide?

Suppliers quote Thonzonium bromide 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 Thonzonium bromide

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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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