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| CAS No.: | 88-46-0 |
|---|---|
| Name: | 2,5-dihydroxybenzenesulphonic acid |
| Article Data: | 24 |
| Molecular Structure: | |
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|
|
| Formula: | C6H6O5S |
| Molecular Weight: | 190.177 |
| Synonyms: | 2,5-Dihydroxybenzenesulfonicacid;2,5-Diolbenzenesulfonic acid;2-Sulfohydroquinone;Dobesilic acid;Hydroquinone-2-sulfonic acid;Hydroquinonesulfonic acid; |
| EINECS: | 201-833-4 |
| Density: | 1.744 g/cm3 |
| PSA: | 103.21000 |
| LogP: | 1.42530 |
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- 88-46-0
dobesilate
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide at 40℃; for 2h; Temperature; | 91.1% |
| Conditions | Yield |
|---|---|
| With sulfur dioxide In not given 0-80°C; | A 20% B 80% |
| With SO2 In not given 0-80°C; | A 20% B 80% |
| With sulphurous acid |
- 106-51-4
p-benzoquinone
- 7757-83-7
sodium sulfite
A
- 88-46-0
dobesilate
B
- 123-31-9
hydroquinone
C
- 14970-71-9
dithionic acid
| Conditions | Yield |
|---|---|
| byproducts: H2SO4; slight amount of Na2S2O6; | A 57% B 3% C n/a |
| byproducts: H2SO4; slight amount of Na2S2O6; | A 57% B 3% C n/a |
| Conditions | Yield |
|---|---|
| addn. of alkali; | 35% |
| addn. of alkali; | 35% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 200℃; in einem Kupferkessel; |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 50 - 100℃; Kinetik; | |
| With oxygen; sodium sulfite | |
| Darst. durch Sulfurieren; |
| Conditions | Yield |
|---|---|
| With sodium sulfite |
| Conditions | Yield |
|---|---|
| With sodium sulfite |
- 123-31-9
hydroquinone
A
- 2458-55-1
1,4-bis-sulfooxy-benzene
B
- 17438-29-8
sulfuric acid mono-(4-hydroxy-phenyl ester)
C
- 88-46-0
dobesilate
| Conditions | Yield |
|---|---|
| With sulfur trioxide In nitromethane-d3 at 20℃; Product distribution; (with 1 equiv. SO3); product distribution between 10 and 10000 min; |
- 123-31-9
hydroquinone
A
- 17438-29-8
sulfuric acid mono-(4-hydroxy-phenyl ester)
B
- 4444-23-9
2,5-dihydroxybenzene-1,4-disulphonic acid
C
- 88-46-0
dobesilate
D
- 81010-88-0
2,5-dihydroxy-benzene-1,3-disulfonic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid In water at 25℃; for 18.8889h; Product distribution; Rate constant; various times, concentrations; |
- Total:20 Page 1 of 1 1
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Specification
The Benzenesulfonic acid,2,5-dihydroxy-, with the CAS registry number 88-46-0, is also known as Dobesilic acid. Its EINECS registry number is 201-833-4. This chemical's molecular formula is C6H6O5S and molecular weight is 190.17. What's more, both its IUPAC name and systematic name are the same which is called 2,5-Dihydroxybenzenesulfonic acid.
Physical properties about Benzenesulfonic acid,2,5-dihydroxy- are: (1)ACD/LogP: -2.284; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.78; (4)ACD/LogD (pH 7.4): -5.79; (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: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 103.21 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 40.16 cm3; (15)Molar Volume: 109.07 cm3; (16)Surface Tension: 84.53 dyne/cm; (17)Density: 1.744 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(O)c1cc(O)ccc1O
(2) InChI: InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
(3) InChIKey: IKQCSJBQLWJEPU-UHFFFAOYSA-N