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Cas Database |
| Name |
Benzenesulfinic acid |
EINECS | 210-548-4 |
| CAS No. | 618-41-7 | Density | 1.45 g/cm3 |
| PSA | 56.51000 | LogP | 2.13290 |
| Solubility | N/A | Melting Point |
84°C |
| Formula | C6H6O2S | Boiling Point | 339.4 °C at 760 mmHg |
| Molecular Weight | 142.178 | Flash Point | 159.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzenesulphenicacid;Benzenesulphinic acid;NSC 227915;Phenylsulfinic acid; |
Article Data | 218 |
Benzenesulfinic acid Synthetic route
- 3112-82-1
(2,4,6-trimethylphenyl) phenyl sulfone
A
- 618-41-7
Benzenesulfinic acid
B
- 108-67-8
1,3,5-trimethyl-benzene
| Conditions | Yield |
|---|---|
| With lithium amalgam In N,N-dimethyl-formamide for 2h; Ambient temperature; | A 99% B 100% |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate; benzyl bromide In tetrahydrofuran at 23 - 40℃; for 1h; | 98% |
| With sodium amalgam; ethanol |
| Conditions | Yield |
|---|---|
| With lithium amalgam In 1,4-dioxane; isopropyl alcohol at 23℃; for 2h; | A 98% B 98% |
- 82777-32-0
2,2-dimethyl-3-phenylsulphonyl-1-tosyloxypropane
A
- 16462-89-8
((2,2-dimethylcyclopropyl)sulfonyl)benzene
B
- 618-41-7
Benzenesulfinic acid
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tert-butyl alcohol at 30℃; for 4h; | A 98% B 65% |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; aluminium(III) triflate; sulfur dioxide; acetic acid at 20℃; under 760.051 Torr; for 35h; Pressure; Temperature; | 95% |
| With aluminium trichloride; sulfur dioxide Zersetzen des Reaktionsprodukts mit Eis und von Salzsaeure; | |
| With aluminium trichloride; sulfur dioxide Zersetzen des Reaktionsprodukts mit Eis und von Salzsaeure; Man bringt die Reaktion zweckmaessig durch Einleiten von etwas trocknem Chlorwasserstoff in Gang; |
- 82480-46-4
C22H20O4S2
A
- 67229-92-9
(((1E,3E)-4-phenylbuta-1,3-dien-1-yl)sulfonyl)benzene
B
- 618-41-7
Benzenesulfinic acid
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol at 20℃; for 16h; | A 94% B 83% |
- 92362-59-9, 92362-60-2
C18H20O4S2
A
- 1165952-92-0
cyclohexa-1,4-diene
B
- 1165952-91-9
cyclohexa-1,3-diene
C
- 618-41-7
Benzenesulfinic acid
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol at 180℃; for 18h; var. time and temp.; Title compound not separated from byproducts; | A 20 % Spectr. B 60 % Spectr. C 91% |
| With sodium ethanolate In ethanol at 180℃; for 18h; Title compound not separated from byproducts; | A 20 % Spectr. B 60 % Spectr. C 91% |
- 5324-64-1
2-(benzenesulfonyl)ethynylbenzene
A
- 4410-77-9
benzylidenecyclopentane
B
- 618-41-7
Benzenesulfinic acid
| Conditions | Yield |
|---|---|
| With tris(2,2'-bipyridyl)ruthenium dichloride; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; N-ethyl-N,N-diisopropylamine In dichloromethane at 0.25℃; for 4h; Catalytic behavior; Mechanism; Solvent; Reagent/catalyst; Time; Inert atmosphere; Schlenk technique; Sealed tube; Irradiation; | A 90% B n/a |
- 141-52-6
sodium ethanolate
- 115373-55-2
1-Benzenesulfonylmethyl-4,8-dithia-spiro[2.5]octane 4,4,8,8-tetraoxide
A
- 115373-75-6
2-(1,3-Diethoxy-propyl)-[1,3]dithiane 1,1,3,3-tetraoxide
B
- 618-41-7
Benzenesulfinic acid
| Conditions | Yield |
|---|---|
| In ethanol at 20℃; for 16h; | A 89% B 88% |
- 87413-32-9
(cyclohex-2-enylsulfonyl)benzene
A
- 1165952-92-0
cyclohexa-1,4-diene
B
- 1165952-91-9
cyclohexa-1,3-diene
C
- 618-41-7
Benzenesulfinic acid
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol at 180℃; for 19h; var. temp.; Title compound not separated from byproducts; | A 21 % Spectr. B 66 % Spectr. C 89% |
| With sodium ethanolate In ethanol at 180℃; for 19h; var. temp.; Title compound not separated from byproducts; | A 21 % Spectr. B 18 % Spectr. C 89% |
Benzenesulfinic acid Chemical Properties
IUPAC Name: Benzenesulfinic acid
Synonyms of Benzenesulfinic acid (CAS NO.618-41-7) : Benzenesulfinic-acid- ; Benzenesulphinic acid ; BNS ; Phenylsulfinic acid
CAS NO: 618-41-7
Molecular Formula: C6H6O2S
Molecular Weight:142.18
Molecular Structure :
EINECS: 210-548-4
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 45.51 Å2
Index of Refraction: 1.682
Molar Refractivity: 37.15 cm3
Surface Tension: 80.5 dyne/cm
Density: 1.45 g/cm3
Flash Point: 159.1 °C
Enthalpy of Vaporization: 61.52 kJ/mol
Boiling Point: 339.4 °C at 760 mmHg
Vapour Pressure: 3.58E-05 mmHg at 25°C
SMILES: O=S(O)c1ccccc1
InChI: InChI=1/C6H6O2S/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
InChIKey: JEHKKBHWRAXMCH-UHFFFAOYAY
Std. InChI: InChI=1S/C6H6O2S/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
Std. InChIKey: JEHKKBHWRAXMCH-UHFFFAOYSA-N
Product Categories of of Benzenesulfinic acid (CAS NO.618-41-7): Industrial/Fine Chemicals
Benzenesulfinic acid Uses
Benzenesulfinic acid (CAS NO.618-41-7) is used as intermediate in organic synthesis.
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