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Basic Information
CAS No.: 610-02-6
Name: 2,3,4-Trihydroxybenzoic acid
Article Data: 25
Molecular Structure:
Molecular Structure of 610-02-6 (2,3,4-Trihydroxybenzoic acid)
Formula: C7H6O5
Molecular Weight: 170.122
Synonyms: 2,3,4-Trihydroxybenzenecarboxylicacid;Benzoic acid,2,3,4-trihydroxy-;4-Pyrogallolcarboxylic acid;NSC 27436;Pyrogallol-4-carboxylic acid;
EINECS: 210-205-9
Density: 1.749 g/cm3
Melting Point: 205 °C (dec.)
Boiling Point: 437.524 °C at 760 mmHg
Flash Point: 232.543 °C
Solubility: Slightly soluble in water.
Appearance: white-like crystal
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 97.99000
LogP: 0.50160
Synthetic route
C6H7O5

C6H7O5

610-02-6

2,3,4-trihydroxybenzoic acid

Conditions
ConditionsYield
With hydrogenchloride for 2.5h;96%
298-81-7

9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one

610-02-6

2,3,4-trihydroxybenzoic acid

Conditions
ConditionsYield
bei der Kalischmelze;
4435-88-5

3-formyl-2, 4-dihydroxybenzoic acid

610-02-6

2,3,4-trihydroxybenzoic acid

Conditions
ConditionsYield
With sodium hydroxide; dihydrogen peroxide
122-39-4

diphenylamine

87-66-1

2-hydroxyresorcinol

610-02-6

2,3,4-trihydroxybenzoic acid

87-66-1

2-hydroxyresorcinol

610-02-6

2,3,4-trihydroxybenzoic acid

Conditions
ConditionsYield
With water; sodium hydrogencarbonate; sodium sulfate
With potassium hydrogencarbonate at 160 - 170℃; im Leuchtgas-Strom;
87-66-1

2-hydroxyresorcinol

A

610-02-6

2,3,4-trihydroxybenzoic acid

B

27163-60-6

4,5,6-trihydroxyisophthalic acid

Conditions
ConditionsYield
With ammonium carbonate; water at 130℃;
298-14-6

potassium hydrogencarbonate

87-66-1

2-hydroxyresorcinol

610-02-6

2,3,4-trihydroxybenzoic acid

634-36-6

1,2,3-trimethoxybenzene

298-14-6

potassium hydrogencarbonate

610-02-6

2,3,4-trihydroxybenzoic acid

89-86-1

4-hydroxysalicylic acid

610-02-6

2,3,4-trihydroxybenzoic acid

Conditions
ConditionsYield
With water (γ-irradiation);
With ferrous(II) sulfate heptahydrate; dihydrogen peroxide In water at 20℃; pH=2.5; Fenton reaction; UV-irradiation;
87-66-1

2-hydroxyresorcinol

KHCO3

KHCO3

610-02-6

2,3,4-trihydroxybenzoic acid

Conditions
ConditionsYield
at 115℃;
With diphenylamine
at 115℃;
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Specification

2,3,4-Trihydroxybenzoic acid is an organic compound with the formula C7H6O5, and its systematic name is the same with the product name. With the CAS registry number 610-02-6, it is also named as Pyrogallol-4-carboxylic acid. It belongs to the product categories of Fine Chemical & Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. Its EINECS number is 210-205-9. In addition, the molecular weight is 170.12. Its classification code is Drug / Therapeutic Agent. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it is used as a pharmaceutical intermediate.

Physical properties of 2,3,4-Trihydroxybenzoic acid are: (1)ACD/LogP: 1.315; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.61; (4)ACD/LogD (pH 7.4): -1.85; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 97.99 Å2; (13)Index of Refraction: 1.73; (14)Molar Refractivity: 38.828 cm3; (15)Molar Volume: 97.252 cm3; (16)Polarizability: 15.393×10-24cm3; (17)Surface Tension: 109.28 dyne/cm; (18)Density: 1.749 g/cm3; (19)Flash Point: 232.543 °C; (20)Enthalpy of Vaporization: 73.165 kJ/mol; (21)Boiling Point: 437.524 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of 2,3,4-Trihydroxybenzoic acid: it can be used to produce 4-Nitro-pyrogallol at the temperature of 50 - 60 °C. It will need reagent cerium(IV) ammonium nitrate and solvent acetonitrile with the reaction time of 15 min. The yield is about 70%.

2,3,4-Trihydroxybenzoic acid can be used to produce 4-Nitro-pyrogallol at the temperature of 50 - 60 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(O)c(O)c(O)cc1
(2)Std. InChI: InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)
(3)Std. InChIKey: BRRSNXCXLSVPFC-UHFFFAOYSA-N

The toxicity data is as follows:  

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.