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Fluorescent dyes and stains

Orb2566811

Also known as Hydrogen (T-4)-difluoro[5-[(5-methyl-2H-pyrrol-2-ylidene-kappaN)methyl]-1H-pyrrole-2-dodecanoato(2-)-kappaN1]borate(1-) (1:1)

CAS 144672-74-2Formula C22H31BF2N2O2Molar mass 404.31 g/mol
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Orb2566811 chemical structure, C22H31BF2N2O2, CAS 144672-74-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
144672-74-2
Formula
C22H31BF2N2O2
Molar mass
404.31 g/mol
HS code
293399
Category
Fluorescent dyes and stains

What is Orb2566811?

Plain description, key identifiers and synonyms

Orb2566811 is a chemical substance with the molecular formula C22H31BF2N2O2 and a molar mass of 404.31 g/mol. Its CAS registry number is 144672-74-2. The IUPAC name is 12-(2,2-difluoro-12-methyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)dodecanoate, hydron.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
12-(2,2-difluoro-12-methyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)dodecanoate, hydron
CAS number
144672-74-2
Molecular formula
C22H31BF2N2O2
InChIKey
RHFBACKVNHUYNJ-UHFFFAOYSA-N
InChI
InChI=1S/C22H31BF2N2O2/c1-18-13-14-20-17-21-16-15-19(27(21)23(24,25)26(18)20)11-9-7-5-3-2-4-6-8-10-12-22(28)29/h13-17H,2-12H2,1H3,(H,28,29)
SMILES (canonical and isomeric)
[H+].[B-]1(N2C(=CC=C2C=C3[N+]1=C(C=C3)CCCCCCCCCCCC(=O)[O-])C)(F)F

Synonyms

  • Hydrogen (T-4)-difluoro[5-[(5-methyl-2H-pyrrol-2-ylidene-kappaN)methyl]-1H-pyrrole-2-dodecanoato(2-)-kappaN1]borate(1-) (1:1)

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
404.31 g/molcalc.
Exact mass
404.2447 Dacalc.
LogP (octanol/water)
4.55calc.
Topological polar surface area
48.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
12calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.55calc.
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, [BH2-]1n2cccc2C=C2C=CC=[N+]12

[BH2-]1n2cccc2C=C2C=CC=[N+]12

3 rings, 12 atoms.

68 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.

Orb2566811 suppliers

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Orb2566811 price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • dye
  • fluorescent dye
  • fluorochrome

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 Orb2566811 is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb2566811 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2566811, based on the data on this page

What is Orb2566811?

Orb2566811 is a chemical substance with the molecular formula C22H31BF2N2O2 and a molar mass of 404.31 g/mol. Its CAS registry number is 144672-74-2. The IUPAC name is 12-(2,2-difluoro-12-methyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)dodecanoate, hydron.

What is the CAS number of Orb2566811?

The CAS registry number of Orb2566811 is 144672-74-2.

What is the molecular formula and weight of Orb2566811?

The molecular formula of Orb2566811 is C22H31BF2N2O2 and its molar mass is 404.31 g/mol.

What is Orb2566811 used for?

Known uses and roles of Orb2566811 include dye, fluorescent dye and fluorochrome.

Is Orb2566811 hazardous?

No GHS hazard classification for Orb2566811 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 Orb2566811?

Orb2566811 is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2566811?

Post a free request on CompoundList and suppliers of Orb2566811 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2566811?

Suppliers quote Orb2566811 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

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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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