3,4,5-trihydroxybenzoic acid


gallic acid; 3,4,5-trihydroxybenzoic acid
Links:
📖Houben-Weyl, 2. Band (Gallussäure); p. 517, 718,
📖Org. Chem., v. Richter, 1. Vol (Gallic Acid); p. 408,
CAS RN:[149-91-7]
Formula:C7H6O5; 170.12 g/mol
InChiKey:LNTHITQWFMADLM-UHFFFAOYSA-N
SMILES:OC(=O)c1cc(O)c(O)c(O)c1
Molecular structure of 3,4,5-trihydroxybenzoic acid
Pharmaceutical use:antitumor; astringent; bacteristatic; styptic
Toxicology (LD50):2 000 mg/Kg (frog, sc); 3 000 mg/Kg(frog, sc); 3 500 mg/Kg(guinea~pig, sc); 5 000 mg/Kg(guinea~pig, sc); 3 320 mg/Kg(rabbit, iv); 3 500 mg/Kg(rat, sc); 5 000 mg/Kg(rat, sc)
Density:1.694 g/mL
Molar volume:100.4 mL/mol
Melting point:260 °C
Log10 partition octanol / water:0.70
1g dissolves in:
2.85g 2-propanone;    3.51g ethanol;    12.05g 1,2,3-propanetriol;    17.54g 3-methyl-1-butanol;    26.67g ethyl acetate;    71.94g diethyl ether;    86.21g water;    178.57g formic acid;    2,380.95g carbon disulfide;    4,545.45g benzene

Isomers

4,5-dimethoxycyclopent-4-ene-1,2,3-trione
Molecular structure of 4,5-dimethoxycyclopent-4-ene-1,2,3-trione
2H-pyran-2,5-dicarboxylic acid
Molecular structure of 2H-pyran-2,5-dicarboxylic acid
2,3,4-trihydroxybenzoic acid
Molecular structure of 2,3,4-trihydroxybenzoic acid
2,4,6-trihydroxybenzoic acid
Molecular structure of 2,4,6-trihydroxybenzoic acid
3,4,5-trihydroxybenzoic acid
Molecular structure of 3,4,5-trihydroxybenzoic acid