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Screening compounds

Orb1219047

Formula C23H25BF2N2O2Molar mass 410.27 g/molEC 806-116-5
GHS signal word: Warning. Pictograms: Harmful or irritant
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Orb1219047 chemical structure, C23H25BF2N2O2
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C23H25BF2N2O2
Molar mass
410.27 g/mol
EC number
806-116-5
HS code
292142
Category
Screening compounds

What is Orb1219047?

Plain description, key identifiers and synonyms

Orb1219047 is a chemical substance with the molecular formula C23H25BF2N2O2 and a molar mass of 410.27 g/mol. The IUPAC name is [4-[2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,2-difluoro-1,3-dioxa-2-boranuidacyclohex-5-en-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[4-[2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,2-difluoro-1,3-dioxa-2-boranuidacyclohex-5-en-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
EC number
806-116-5
Molecular formula
C23H25BF2N2O2
InChI
InChI=1S/C23H25BF2N2O2/c1-27(2)20-11-5-18(6-12-20)9-15-22-17-23(30-24(25,26)29-22)16-10-19-7-13-21(14-8-19)28(3)4/h5-17H,1-4H3
Canonical SMILES
CN(C)c1ccc(C=CC2=CC(=CC=C3C=CC(=[N+](C)C)C=C3)O[B-](F)(F)O2)cc1
Isomeric SMILES
[B-]1(OC(=CC(=CC=C2C=CC(=[N+](C)C)C=C2)O1)/C=C/C3=CC=C(C=C3)N(C)C)(F)F

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
410.27 g/molcalc.
Exact mass
410.1977 Dacalc.
LogP (octanol/water)
4.72calc.
Topological polar surface area
24.71 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.17calc.
Formal charge
0calc.
Stereocentres
0calc.
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, [N+]=C1C=CC(=CC=C2C=C(C=Cc3ccccc3)O[BH2-]O2)C=C1

[N+]=C1C=CC(=CC=C2C=C(C=Cc3ccccc3)O[BH2-]O2)C=C1

3 rings, 23 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.

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

Orb1219047 suppliers

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Orb1219047 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 Orb1219047 is traded under.

HS 2921.42Indicative HS code

Aniline derivatives and their salts

World exports in 2024
$495M
−2.5% vs 2023, imports $440M
2019 to 2024
Top exporters
  1. China69.8%
  2. India * partner reported19.6%
  3. Japan3.3%
Top importers
  1. Pakistan17.0%
  2. United Arab Emirates * partner reported12.7%
  3. Brazil10.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb1219047 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1219047, based on the data on this page

What is Orb1219047?

Orb1219047 is a chemical substance with the molecular formula C23H25BF2N2O2 and a molar mass of 410.27 g/mol. The IUPAC name is [4-[2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2,2-difluoro-1,3-dioxa-2-boranuidacyclohex-5-en-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.

What is the molecular formula and weight of Orb1219047?

The molecular formula of Orb1219047 is C23H25BF2N2O2 and its molar mass is 410.27 g/mol.

What is Orb1219047 used for?

Known uses and roles of Orb1219047 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1219047 hazardous?

Orb1219047 carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Orb1219047?

Orb1219047 is usually classified under HS code 292142 (Aniline derivatives and their salts). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1219047?

Post a free request on CompoundList and suppliers of Orb1219047 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1219047?

Suppliers quote Orb1219047 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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