2,4,6-Trihydroxybenzoic acid monohydrate supplier

Name
2,4,6-TRIHYDROXYBENZOIC ACID MONOHYDRATE
EINECS 201-467-5
CAS No. 71989-93-0
Density
Solubility Soluble in water.
Melting Point ~205 °C (dec.)(lit.)
Formula C₇H₆O₅.H₂O
Boiling Point 426.5 °C at 760 mmHg
Molecular Weight 188.13
Flash Point 225.9 °C
Transport Information
Appearance light beige micro-crystalline powder
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzoicacid, 2,4,6-trihydroxy-, monohydrate (9CI);
PSA 107.22000
LogP 0.43730

2,4,6-Trihydroxybenzoic acid monohydrate Specification

The systematic name of this chemical is 2,4,6-Trihydroxybenzoic acid hydrate. With the CAS registry number 71989-93-0, it is also named as benzoic acid,2,4,6-trihydroxy-, hydrate (1:1). In addition, the molecular formula is C₇H₆O₅.H₂O. It is a kind of light beige micro-crystalline powder. Besides, it should be stored in sealed container, and put in a cool and dry place. The storage place must stay away from oxidant.

Physical properties about 2,4,6-Trihydroxybenzoic acid hydrate are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.35; (4)ACD/LogD (pH 7.4): -1.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 53.99 Å²; (13)Flash Point: 225.9 °C; (14)Enthalpy of Vaporization: 71.82 kJ/mol; (15)Boiling Point: 426.5 °C at 760 mmHg; (16)Vapour Pressure: 4.93E-08 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(O)cc(O)cc1O.O
(2)InChI: InChI=1/C7H6O5.H2O/c8-3-1-4(9)6(7(11)12)5(10)2-3;/h1-2,8-10H,(H,11,12);1H2
(3)InChIKey: HWZIRFCGHAROOI-UHFFFAOYAN

Product Name

2,4,6-TRIHYDROXYBENZOIC ACID MONOHYDRATE

2,4,6-Trihydroxybenzoic acid monohydrate Specification

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