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Screening compounds

Trigallic acid

Also known as m-Trigallic acid, 3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoic acid, 3-(3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl)oxy-4,5-dihydroxybenzoic acid

CAS 2131-66-0Formula C21H14O13Molar mass 474.33 g/mol
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Trigallic acid chemical structure, C21H14O13, CAS 2131-66-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2131-66-0
Formula
C21H14O13
Molar mass
474.33 g/mol
HS code
291829
Category
Screening compounds

What is Trigallic acid?

Plain description, key identifiers and synonyms

3-[3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid is a carbonyl compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoic acid
CAS number
2131-66-0
Molecular formula
C21H14O13
UNII
6HV67CW76G
InChIKey
QUXNYZHQBWMPNX-UHFFFAOYSA-N
InChI
InChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30)
SMILES (canonical and isomeric)
C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OC3=CC(=CC(=C3O)O)C(=O)O

Synonyms

  • m-Trigallic acid
  • 3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoic acid
  • 3-(3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl)oxy-4,5-dihydroxybenzoic acid
  • Metatrigallic acid
  • 3-((3,4-Dihydroxy-5-((3,4,5-trihydroxybenzoyl)oxy)benzoyl)oxy)-4,5-dihydroxybenzoic acid
  • 3-({3,4-Dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}oxy)-4,5-dihydroxybenzoic acid
  • US11793823, Compound 14
  • Gallic acid, 3-gallate, 3-gallate
  • 3-[3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid
  • Gallic acid, 3-ester with gallic acid, 3-gallate
  • 3,4-Dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid 5-carboxy-2,3-dihydroxyphenyl ester, 9CI
  • 3-(3,4-Bis(oxidanyl)-5-(3,4,5-tris(oxidanyl)phenyl)carbonyloxy-phenyl)carbonyloxy-4,5-bis(oxidanyl)benzoic acid
  • Benzoic acid, 3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]-, 5-carboxy-2,3-dihydroxyphenyl ester

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
474.33 g/molcalc.
Exact mass
474.0434 Dacalc.
LogP (octanol/water)
1.76calc.
Topological polar surface area
231.5 Ųcalc.
Hydrogen bond donors
8calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
5calc.
Heavy atoms
34calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
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=C(Oc1cccc(C(=O)Oc2ccccc2)c1)c1ccccc1

O=C(Oc1cccc(C(=O)Oc2ccccc2)c1)c1ccccc1

3 rings, 24 atoms.

1 other chemical 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.

Trigallic acid suppliers

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Trigallic acid 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 Trigallic acid is traded under.

HS 2918.29Indicative HS code

Carboxylic acids, (with phenol function but without other oxygen function), their anhydrides, halides…

World exports in 2024
$861M
+0.9% vs 2023, imports $892M
2019 to 2024
Top exporters
  1. China30.5%
  2. South Korea18.3%
  3. Switzerland * partner reported13.3%
Top importers
  1. United States14.7%
  2. Germany13.3%
  3. Japan10.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Trigallic acid, based on the data on this page

What is Trigallic acid?

3-[3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid is a carbonyl compound.

What is the CAS number of Trigallic acid?

The CAS registry number of Trigallic acid is 2131-66-0.

What is the molecular formula and weight of Trigallic acid?

The molecular formula of Trigallic acid is C21H14O13 and its molar mass is 474.33 g/mol.

What is Trigallic acid used for?

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

Is Trigallic acid hazardous?

No GHS hazard classification for Trigallic acid 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 Trigallic acid?

Trigallic acid is usually classified under HS code 291829 (Carboxylic acids with phenol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Trigallic acid?

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

What is the price of Trigallic acid?

Suppliers quote Trigallic acid 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 Trigallic acid

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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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