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Name |
Benzoicacid, 3,4-dihydroxy-, hydrazide |
EINECS | 254-550-3 |
CAS No. | 39635-11-5 | Density | 1.477 g/cm3 |
PSA | 95.58000 | LogP | 0.79250 |
Solubility | N/A | Melting Point |
268 °C |
Formula | C7H8N2O3 | Boiling Point | N/A |
Molecular Weight | 168.152 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22-36 | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Protocatechuicacid, hydrazide (6CI);3,4-Dihydroxybenzoic acid hydrazide;3,4-Dihydroxybenzoyl hydrazide;3,4-Dihydroxybenzoylhydrazine; |
Article Data | 11 |
The CAS register number of Benzoicacid, 3,4-dihydroxy-, hydrazide is 39635-11-5. It also can be called as 3,4-Dihydroxybenzoic acid hydrazide and the IUPAC name about this chemical is 3,4-dihydroxybenzohydrazide. The molecular formula about this chemical is C7H8N2O3 and the molecular weight is 168.15. It belongs to the Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes.
Physical properties about Benzoicacid, 3,4-dihydroxy-, hydrazide are: (1)ACD/LogP: -0.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.53; (4)ACD/LogD (pH 7.4): -0.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.29; (8)ACD/KOC (pH 7.4): 10.04; (9)#H bond acceptors: 5; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.01Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 42.54 cm3; (15)Molar Volume: 113.8 cm3; (16)Polarizability: 16.86x10-24cm3; (17)Surface Tension: 79.3 dyne/cm.
Uses of Benzoicacid, 3,4-dihydroxy-, hydrazide: it can be used to produce 3,4-dihydroxy-N-(4-thioxo-4H-pyridin-1-yl)-benzamide with pyran-4-thione at ambient temperature. This reaction will need solvent dimethylformamide with reaction time of 24 hours. The yield is about 51%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(O)c(O)cc1)NN
(2)InChI: InChI=1/C7H8N2O3/c8-9-7(12)4-1-2-5(10)6(11)3-4/h1-3,10-11H,8H2,(H,9,12)
(3)InChIKey: WGXWEXNJRZMIPT-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H8N2O3/c8-9-7(12)4-1-2-5(10)6(11)3-4/h1-3,10-11H,8H2,(H,9,12)
(5)Std. InChIKey: WGXWEXNJRZMIPT-UHFFFAOYSA-N