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| CAS No.: | 5397-34-2 |
|---|---|
| Name: | 2,4'-DIHYDROXYDIPHENYL SULFONE |
| Molecular Structure: | |
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| Formula: | C12H10O4S |
| Molecular Weight: | 250.275 |
| Synonyms: | Phenol,2,4'-sulfonyldi- (6CI,7CI,8CI);2,4'-Bisphenol sulfone;2,4'-Dihydroxydiphenylsulfone;2,4'-Sulfonyldiphenol;24 Bisphenol S;24BS;4,2'-Dihydroxydiphenylsulfone;BPS 24;BPS 24C;NSC 2432; |
| EINECS: | 226-421-1 |
| Density: | 1.432 g/cm3 |
| Melting Point: | 184 °C |
| Boiling Point: | 487.2 °C at 760 mmHg |
| Flash Point: | 248.5 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 82.98000 |
| LogP: | 3.01140 |
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| Conditions | Yield |
|---|---|
| Stage #1: phenol With sulfuric acid; benzene-1,3-disulfonic acid In 1,3,5-trimethyl-benzene at 145 - 165℃; for 5h; Heating / reflux; Stage #2: at 170 - 185℃; under 525.053 Torr; for 2h; Product distribution / selectivity; | A 94% B n/a |
| With sulfuric acid In 1,3,5-trimethyl-benzene at 145 - 165℃; for 5h; Product distribution / selectivity; Heating / reflux; | A 89% B n/a |
| Stage #1: phenol With sulfuric acid In 1,3,5-trimethyl-benzene at 145 - 165℃; for 5h; Heating / reflux; Stage #2: at 170 - 185℃; under 525.053 Torr; for 2h; Product distribution / selectivity; | A 83% B n/a |
- 38980-51-7
1-chloro-2-(4-chlorophenylsulfonyl)benzene
- 5397-34-2
2,4'-dihydroxydiphenyl sulfone
| Conditions | Yield |
|---|---|
| With potassium hydroxide at 160 - 165℃; | |
| With potassium hydroxide at 160 - 165℃; |
- 24197-29-3
1-methoxy-2-((4-methoxyphenyl)sulfonyl)benzene
- 5397-34-2
2,4'-dihydroxydiphenyl sulfone
| Conditions | Yield |
|---|---|
| With aluminium trichloride; xylene |
- 7664-93-9
sulfuric acid
- 108-95-2
phenol
A
- 80-09-1
4,4'-sulfonediphenol
B
- 5397-34-2
2,4'-dihydroxydiphenyl sulfone
| Conditions | Yield |
|---|---|
| at 165 - 200℃; |
- 7664-93-9
sulfuric acid
- 7446-11-9
sulfur trioxide
- 108-95-2
phenol
A
- 80-09-1
4,4'-sulfonediphenol
B
- 5397-34-2
2,4'-dihydroxydiphenyl sulfone
| Conditions | Yield |
|---|---|
| at 180 - 190℃; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: copper-powder / 235 - 240 °C 2: KMnO4; glacial acetic acid / Erwaermen auf dem Dampfbad 3: AlCl3; xylene View Scheme |
- 202924-57-0
monosodium salt of 2,4'-dihydroxydiphenylsulfone
- 5397-34-2
2,4'-dihydroxydiphenyl sulfone
| Conditions | Yield |
|---|---|
| With sulfuric acid In water | |
| With sulfuric acid In methanol |
| Conditions | Yield |
|---|---|
| With hydrogen fluoride |
- 80-07-9
4,4'-dichlorodiphenyl sulphone
- 38980-51-7
1-chloro-2-(4-chlorophenylsulfonyl)benzene
A
- 80-09-1
4,4'-sulfonediphenol
B
- 5397-34-2
2,4'-dihydroxydiphenyl sulfone
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide at 220℃; for 4h; |
| Conditions | Yield |
|---|---|
| Stage #1: chlorobenzene With sulfur trioxide; dimethyl sulfate at 30℃; for 2h; Stage #2: With sodium hydroxide In water at 220℃; for 4h; |
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Specification
The Phenol,2-[(4-hydroxyphenyl)sulfonyl]-, with the CAS registry number 5397-34-2, is also known as o-((4-Hydroxyphenyl)sulphonyl)phenol. Its EINECS registry number is 226-421-1. This chemical's molecular formula is C12H10O4S and molecular weight is 250.029979. Its IUPAC name is called 2-(4-hydroxyphenyl)sulfonylphenol. The product should be sealed and stored in cool and dry place.
Physical properties of Phenol,2-[(4-hydroxyphenyl)sulfonyl]-: (1)ACD/LogP: 2.13; (2)ACD/LogD (pH 5.5): 2.12; (3)ACD/LogD (pH 7.4): 1.33; (4)ACD/BCF (pH 5.5): 23.86; (5)ACD/BCF (pH 7.4): 3.9; (6)ACD/KOC (pH 5.5): 334.11; (7)ACD/KOC (pH 7.4): 54.57; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.645; (12)Molar Refractivity: 63.33 cm3; (13)Molar Volume: 174.6 cm3; (14)Surface Tension: 60.7 dyne/cm; (15)Density: 1.432 g/cm3; (16)Flash Point: 248.5 °C; (17)Enthalpy of Vaporization: 78.18 kJ/mol; (18)Boiling Point: 487.2 °C at 760 mmHg; (19)Vapour Pressure: 4.06E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)O)S(=O)(=O)C2=CC=C(C=C2)O
(2)InChI: InChI=1S/C12H10O4S/c13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-8,13-14H
(3)InChIKey: LROZSPADHSXFJA-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LDLo | oral | 4700mg/kg (4700mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION | National Technical Information Service. Vol. OTS0555048, |
| rat | LDLo | oral | 7gm/kg (7000mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0555048 |