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Flavonoids and polyphenols

Lyase, citrate

CAS 9012-83-3Formula C66H40Cl6F2O9Molar mass 1,227.75 g/molEC 232-740-7
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Lyase, citrate chemical structure, C66H40Cl6F2O9, CAS 9012-83-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
9012-83-3
Formula
C66H40Cl6F2O9
Molar mass
1,227.75 g/mol
EC number
232-740-7
HS code
293299
Category
Flavonoids and polyphenols

What is Lyase, citrate?

Plain description, key identifiers and synonyms

Lyase, citrate is a chemical substance with the molecular formula C66H40Cl6F2O9 and a molar mass of 1,227.75 g/mol. Its CAS registry number is 9012-83-3. The IUPAC name is 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one, 2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one, 2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methylidene]-6-hydroxychromen-4-one, 2-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)methylidene]-6-hydroxychromen-4-one, 2-(4-fluorophenyl)-3-[(4-fluorophenyl)methylidene]-6-hydroxychromen-4-one
CAS number
9012-83-3Other or deprecated CAS: 91079-83-3
EC numbers
232-740-7, 293-472-4
Molecular formula
C66H40Cl6F2O9
InChIKey
WBADKMLOQVKUSC-UHFFFAOYSA-N
InChI
InChI=1S/C22H12Cl4O3.C22H14Cl2O3.C22H14F2O3/c23-16-4-1-11(8-18(16)25)7-15-21(28)14-10-13(27)3-6-20(14)29-22(15)12-2-5-17(24)19(26)9-12;2*23-15-5-1-13(2-6-15)11-19-21(26)18-12-17(25)9-10-20(18)27-22(19)14-3-7-16(24)8-4-14/h1-10,22,27H;2*1-12,22,25H
SMILES (canonical and isomeric)
C1=CC(=CC=C1C=C2C(OC3=C(C2=O)C=C(C=C3)O)C4=CC=C(C=C4)F)F.C1=CC(=CC=C1C=C2C(OC3=C(C2=O)C=C(C=C3)O)C4=CC=C(C=C4)Cl)Cl.C1=CC(=C(C=C1C=C2C(OC3=C(C2=O)C=C(C=C3)O)C4=CC(=C(C=C4)Cl)Cl)Cl)Cl

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
1,227.75 g/molcalc.
Exact mass
1,224.0772 Dacalc.
LogP (octanol/water)
18.58calc.
Topological polar surface area
139.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
6calc.
Heavy atoms
83calc.
Rings
12calc.
Aromatic rings
9calc.
Fraction sp3 carbons
0.05calc.
Formal charge
0calc.
Stereocentres
3calc.
Components
3calc.
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, O=C1C(=Cc2ccccc2)C(c2ccccc2)Oc2ccccc21

O=C1C(=Cc2ccccc2)C(c2ccccc2)Oc2ccccc21

4 rings, 24 atoms.

7 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.

Lyase, citrate suppliers

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Lyase, citrate 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Lyase, citrate is traded under.

HS 2932.99Indicative HS code

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

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Lyase, citrate, based on the data on this page

What is Lyase, citrate?

Lyase, citrate is a chemical substance with the molecular formula C66H40Cl6F2O9 and a molar mass of 1,227.75 g/mol. Its CAS registry number is 9012-83-3.

What is the CAS number of Lyase, citrate?

The CAS registry number of Lyase, citrate is 9012-83-3. Other or deprecated CAS numbers: 91079-83-3.

What is the molecular formula and weight of Lyase, citrate?

The molecular formula of Lyase, citrate is C66H40Cl6F2O9 and its molar mass is 1,227.75 g/mol.

Is Lyase, citrate hazardous?

No GHS hazard classification for Lyase, citrate 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 Lyase, citrate?

Lyase, citrate is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lyase, citrate?

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What is the price of Lyase, citrate?

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

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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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