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2,5-Dihydroxybenzenesulfonic acid

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Name

2,5-Dihydroxybenzenesulfonic acid

EINECS 201-833-4
CAS No. 88-46-0 Density 1.744 g/cm3
PSA 103.21000 LogP 1.42530
Solubility N/A Melting Point N/A
Formula C6H6O5S Boiling Point N/A
Molecular Weight 190.177 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 88-46-0 (2,5-dihydroxybenzenesulphonic acid) Hazard Symbols N/A
Synonyms

2,5-Dihydroxybenzenesulfonicacid;2,5-Diolbenzenesulfonic acid;2-Sulfohydroquinone;Dobesilic acid;Hydroquinone-2-sulfonic acid;Hydroquinonesulfonic acid;

Article Data 24

2,5-Dihydroxybenzenesulfonic acid Synthetic route

2,5-bis(acetyloxy)benzenesulfonic acid

88-46-0

dobesilate

Conditions
ConditionsYield
With water; sodium hydroxide at 40℃; for 2h; Temperature;91.1%
106-51-4

p-benzoquinone

A

88-46-0

dobesilate

B

123-31-9

hydroquinone

Conditions
ConditionsYield
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
ConditionsYield
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
106-51-4

p-benzoquinone

7757-83-7

sodium sulfite

88-46-0

dobesilate

Conditions
ConditionsYield
addn. of alkali;35%
addn. of alkali;35%
88-42-6

2,5-dichlorobenzenesulfonic acid

88-46-0

dobesilate

Conditions
ConditionsYield
With sodium hydroxide at 200℃; in einem Kupferkessel;
123-31-9

hydroquinone

88-46-0

dobesilate

Conditions
ConditionsYield
With sulfuric acid at 50 - 100℃; Kinetik;
With oxygen; sodium sulfite
Darst. durch Sulfurieren;
106-51-4

p-benzoquinone

A

4444-23-9

2,5-dihydroxybenzene-1,4-disulphonic acid

B

88-46-0

dobesilate

Conditions
ConditionsYield
With sodium sulfite
106-51-4

p-benzoquinone

88-46-0

dobesilate

Conditions
ConditionsYield
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
ConditionsYield
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

E

2-Hydroxy-5-sulfooxy-benzene-1,3-disulfonic acid

F

2-Hydroxy-5-sulfooxy-benzenesulfonic acid

Conditions
ConditionsYield
With sulfuric acid In water at 25℃; for 18.8889h; Product distribution; Rate constant; various times, concentrations;

2,5-Dihydroxybenzenesulfonic acid 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

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