THIANAPHTHENE-1,1-DIOXIDE
- Product Name
- THIANAPHTHENE-1,1-DIOXIDE
- CAS No.
- 825-44-5
- Chemical Name
- THIANAPHTHENE-1,1-DIOXIDE
- Synonyms
- BENZO[B]THIOPHENE 1,1-DIOXIDE;Benzothiophene 1,1-dioxide;AKOS 90176;THIONAPHTHENE-1,1-DIOXIDE;THIANAPHTHENE-1,1-DIOXIDE;1-BENZOTHIOPHENE 1,1-DIOXIDE;Thianaphthene-1,1-dioxide,99%;Tbenzo[b]thiophene 1,1-dioxide;Benzobüthiophene 1,1-dioxide, 98%;Thianaphthene-1,1-dioxide, 99% 1GR
- CBNumber
- CB7448371
- Molecular Formula
- C8H6O2S
- Formula Weight
- 166.2
- MOL File
- 825-44-5.mol
THIANAPHTHENE-1,1-DIOXIDE Property
- Melting point:
- 138-142 °C
- Boiling point:
- 264.41°C (rough estimate)
- Density
- 1.3123 (rough estimate)
- refractive index
- 1.5500 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Powder
- Appearance
- White to off-white Solid
- BRN
- 116442
- InChI
- InChI=1S/C8H6O2S/c9-11(10)6-5-7-3-1-2-4-8(7)11/h1-6H
- InChIKey
- FRJNKYGTHPUSJR-UHFFFAOYSA-N
- SMILES
- C12=CC=CC=C1C=CS2(=O)=O
- CAS DataBase Reference
- 825-44-5(CAS DataBase Reference)
Safety
- Safety Statements
- 24/25
- HS Code
- 29309099
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- S984302
- Product name
- BENZO(B)THIOPHENE-1,1-DIOXIDE
- Purity
- Aldrich<sup>CPR</sup>
- Packaging
- 1 unit
- Price
- $185
- Updated
- 2025/07/31
- Product number
- S852414
- Product name
- THIONAPHTHENE-1,1-DIOXIDE
- Purity
- Aldrich<sup>CPR</sup>
- Packaging
- 1 unit
- Price
- $113
- Updated
- 2025/07/31
- Product number
- S984302
- Product name
- Benzo[b]thiophene 1,1-dioxide
- Purity
- Aldrich
- Packaging
- 50mg
- Price
- $179
- Updated
- 2024/03/01
- Product number
- S852414
- Product name
- THIONAPHTHENE-1,1-DIOXIDE
- Purity
- Aldrich
- Packaging
- 50mg
- Price
- $110
- Updated
- 2024/03/01
- Product number
- B6766
- Product name
- Benzo[b]thiophene 1,1-Dioxide
- Purity
- min. 98.0 %
- Packaging
- 1G
- Price
- $98
- Updated
- 2025/07/31
THIANAPHTHENE-1,1-DIOXIDE Chemical Properties,Usage,Production
Chemical Properties
White to cream colored powder
Definition
ChEBI: 1H-1lambda~6~-benzo[b]thiophene-1,1-dione is a benzenoid aromatic compound.
Synthesis Reference(s)
Journal of the American Chemical Society, 71, p. 1702, 1949 DOI: 10.1021/ja01173a043
Synthesis
95-15-8
825-44-5
General procedure for the synthesis of benzothiophene sulfone from benzothiophene: 0.15 g (0.0011 mol) of benzothiophene (BT) was placed in a 25 mL round-bottomed flask which was pre-filled with a mixture of 10 mL of toluene/hexane (1:4, v/v) and 0.015 g (0.0135 mmol) of oxidation catalyst. The reaction mixture was heated to 40°C in an oil bath with continuous stirring at 500 rpm. Subsequently, tert-butyl hydroperoxide was added to the reaction system at a molar ratio of oxidizer to substrate of 6.8. The oxidation reaction was carried out under continuous stirring for 6 hours. Upon completion of the reaction, the resulting white benzothiophene sulfone (BTO2) precipitate was collected by filtration and washed with hexane to remove unreacted benzothiophene. The yield was 81%. The 1H NMR (δ, ppm, DMSO-d6) data of the product were as follows: δ 7.83 (d, J = 7.2 Hz, 1H), 7.69 (t, J = 7.4 Hz, 1H), 7.62 (t, J = 9.1 Hz, 3H), 7.34 (d, J = 6.8 Hz, 1H). Elemental analysis results (calculated/measured values, %): C, 57.81/57.49; H, 3.64/3.89; S, 19.29/19.02.
References
[1] Petroleum Chemistry, 2007, vol. 47, # 3, p. 225 - 225
[2] Polyhedron, 2014, vol. 72, p. 19 - 26
[3] RSC Advances, 2014, vol. 4, # 61, p. 32054 - 32062
[4] Patent: CN108658908, 2018, A. Location in patent: Paragraph 0204; 0205
[5] Journal of Organic Chemistry, 1997, vol. 62, # 5, p. 1457 - 1462
THIANAPHTHENE-1,1-DIOXIDE Preparation Products And Raw materials
Raw materials
Preparation Products
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