2,3,4-Trihydroxybenzoic acid

Details:

1. Introduction of 2,3,4-Trihydroxybenzoic acid

2,3,4-Trihydroxybenzoic acid (CAS NO.610-02-6) is a similar white to slight yellow solid and belongs to the FINE Chemical & INTERMEDIATES. We can provide its 98%min(HPLC) and produce it 20 metric ton per year. Besides, the FOB price of this chemical is 0-100000 USD/kilogram. It is in stock now and will be sent from the beijing. Whereas, we'd like to receive the payment from the L/C or T/T.

Other specification:

Formula:     C₇H₆O₅
M.W.:       170.12
Feature:      Similar white to slight yellow solid，m.p: 205℃

Appearance ：Similar white to slight yellow solid
Assay ：≥98.0%（HPLC）
Packaging: 25KG/NET Fiber Drum with double lined plastic bag inside



Packaging Details: Fiber Drum Size: diameter 350mm x height 500mm,tare weight: 2.8-2.9kg 
                             PE bag: width 600mm x height 900mm xthickness 0.06mm

2. Basic information of 2,3,4-Trihydroxybenzoic acid

1) Properties:

(1)XLogP3: 1.1; (2)H-Bond Donor: 4; (3)H-Bond Acceptor: 5; (4)Rotatable Bond Count: 1; (5)Tautomer Count: 26; (6)Exact Mass: 170.021523; (7)MonoIsotopic Mass: 170.021523; (8)Topological Polar Surface Area: 98; (9)Heavy Atom Count: 12; (10)Complexity: 181; (11)Covalently-Bonded Unit Count: 1; (12)Feature 3D Acceptor Count: 2; (13)Feature 3D Donor Count: 3; (14)Feature 3D Anion Count: 1; (15)Feature 3D Ring Count: 1; (16)Effective Rotor Count: 1; (17)Conformer Sampling RMSD: 0.4; (18)CID Conformer Count: 3.

2) Physical Properties

Physical Property	Value	Units	Temp (deg C)	Source
Melting Point	221	deg C		EXP
log P (octanol-water)	1.05	(none)		EXP
Water Solubility	1000	mg/L	13	EXP
Vapor Pressure	1.19E-07	mm Hg	25	EST
Henry's Law Constant	1.54E-16	atm-m3/mole	25	EST
Atmospheric OH Rate Constant	1.46E-10	cm3/molecule-sec	25	EST

3) Descriptors of Structure

InChI: InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)
InChIKey: BRRSNXCXLSVPFC-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=C(C(=C1C(=O)O)O)O)O

4) Application

2,3,4-Trihydroxybenzoic acid (CAS NO.610-02-6) can be used to produce 4-Nitro-pyrogallol at the temperature of 50 - 60 °C. This reaction will need reagent cerium(IV) ammonium nitrate and solvent acetonitrile with the reaction time of 15 min. The yield of it is about 70%.