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

Name
2,4'-DIHYDROXYDIPHENYL SULFONE
EINECS 226-421-1
CAS No. 5397-34-2
Article Data20
CAS DataBase
Density 1.432 g/cm³
Solubility
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
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
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;
PSA 82.98000
LogP 3.01140

Synthetic route

: 108-95-2
phenol

A: 80-09-1
4,4'-sulfonediphenol

B: 5397-34-2
2,4'-dihydroxydiphenyl sulfone

Conditions

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

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

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

Conditions	Yield
at 165 - 200℃;

...Expand

: 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

Conditions	Yield
at 180 - 190℃;

...Expand

: 696-63-9
4-Methoxybenzenethiol

: 5397-34-2
2,4'-dihydroxydiphenyl sulfone

Conditions

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

Conditions	Yield
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

Conditions	Yield
With hydrogen fluoride

...Expand

: 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

Conditions	Yield
With water; sodium hydroxide at 220℃; for 4h;

...Expand

: 108-90-7
chlorobenzene

A: 80-09-1
4,4'-sulfonediphenol

B: 5397-34-2
2,4'-dihydroxydiphenyl sulfone

Conditions

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;

: 358-23-6
trifluoromethylsulfonic anhydride

: 5397-34-2
2,4'-dihydroxydiphenyl sulfone

: 1228364-92-8
2,4'-bis(trifluoromethylsulfonyloxy)diphenylsulfone

Conditions

Conditions	Yield
Stage #1: 2,4'-dihydroxydiphenyl sulfone With pyridine In dichloromethane at -78℃; for 0.166667h; Inert atmosphere; Stage #2: trifluoromethylsulfonic anhydride In dichloromethane at -78 - 0℃; Inert atmosphere;	81%

: 5397-34-2
2,4'-dihydroxydiphenyl sulfone

: (2-benzoyloxy-phenyl)-(4-benzoyloxy-phenyl)-sulfone

: 5397-34-2
2,4'-dihydroxydiphenyl sulfone

: 75-36-5
acetyl chloride

: 57154-52-6
(2-acetoxy-phenyl)-(4-acetoxy-phenyl)-sulfone

Conditions

Conditions	Yield
With acetic acid

: 5397-34-2
2,4'-dihydroxydiphenyl sulfone

: 77-78-1
dimethyl sulfate

: 24197-29-3
1-methoxy-2-((4-methoxyphenyl)sulfonyl)benzene

Conditions

Conditions	Yield
With alkaline solution

: 2998-56-3
N,N-bis-(2-chloroethyl)carbamoyl chloride

: 5397-34-2
2,4'-dihydroxydiphenyl sulfone

: 6526-89-2
2,4'-Bisdiphenylsulfon

Conditions

Conditions	Yield
With pyridine

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

Product Name

2,4'-DIHYDROXYDIPHENYL SULFONE

Synthetic route

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

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