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Phenol,2-[(4-hydroxyphenyl)sulfonyl]-

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Name

Phenol,2-[(4-hydroxyphenyl)sulfonyl]-

EINECS 226-421-1
CAS No. 5397-34-2 Density 1.432 g/cm3
PSA 82.98000 LogP 3.01140
Solubility N/A Melting Point 184 °C
Formula C12H10O4S Boiling Point 487.2 °C at 760 mmHg
Molecular Weight 250.275 Flash Point 248.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5397-34-2 (2,4'-DIHYDROXYDIPHENYL SULFONE) Hazard Symbols N/A
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;

Article Data 20

Phenol,2-[(4-hydroxyphenyl)sulfonyl]- Synthetic route

108-95-2

phenol

A

80-09-1

4,4'-sulfonediphenol

B

5397-34-2

2,4'-dihydroxydiphenyl sulfone

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
at 180 - 190℃;
696-63-9

4-Methoxybenzenethiol

5397-34-2

2,4'-dihydroxydiphenyl sulfone

Conditions
ConditionsYield
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
ConditionsYield
With sulfuric acid In water
With sulfuric acid In methanol
fluorosulphonic acid (HFSO3)

fluorosulphonic acid (HFSO3)

108-95-2

phenol

A

80-09-1

4,4'-sulfonediphenol

B

5397-34-2

2,4'-dihydroxydiphenyl sulfone

Conditions
ConditionsYield
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
ConditionsYield
With water; sodium hydroxide at 220℃; for 4h;
108-90-7

chlorobenzene

A

80-09-1

4,4'-sulfonediphenol

B

5397-34-2

2,4'-dihydroxydiphenyl sulfone

Conditions
ConditionsYield
Stage #1: chlorobenzene With sulfur trioxide; dimethyl sulfate at 30℃; for 2h;
Stage #2: With sodium hydroxide In water at 220℃; for 4h;

Phenol,2-[(4-hydroxyphenyl)sulfonyl]- 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

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