Sulisobenzone

Base Information

• Chemical Name: Sulisobenzone
• CAS No.: 4065-45-6
• Deprecated CAS: 62121-63-5,197923-35-6
• Molecular Formula: C14H12O6S
• Molecular Weight: 308.312
• Hs Code.: 2914.70 DERIVATION
• European Community (EC) Number: 223-772-2
• UNII: 1W6L629B4K
• DSSTox Substance ID: DTXSID2042436
• Nikkaji Number: J8.677K
• Wikipedia: Sulisobenzone
• Wikidata: Q7636301
• NCI Thesaurus Code: C74401
• RXCUI: 1311567
• Metabolomics Workbench ID: 71524
• ChEMBL ID: CHEMBL2059073
• Mol file: 4065-45-6.mol

Synonyms:2-hydroxy-4-methoxybenzophenone-5-sulfonic acid;5-benzoyl-4-hydroxy-2-methoxybenzene sulfonic acid;benzophenone-4;BP-4 benzophenone;sulisobenzone;sulisobenzone, monosodium salt;Uval

Chemical Property of Sulisobenzone

Chemical Property:

• Appearance/Colour: white to yellowish powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 170 °C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 0°C
• PKA: -0.70±0.50(Predicted)
• Flash Point: 0°C
• PSA: 109.28000
• Density: 1.449 g/cm³
• LogP: 2.95930
• Storage Temp.: -20°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 300.92g/L at 25℃
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 308.03545927
• Heavy Atom Count: 21
• Complexity: 462

Purity/Quality:

99%min ^*data from raw suppliers

Sulisobenzone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39-36/37/39-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Sunscreens
• Canonical SMILES: COC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)S(=O)(=O)O
• Uses: Ultraviolet absorber for leather and textile fibers; in cosmetics and shampoos. 2-Hydroxy-4-methoxybenzophenone-5-sulfonic acid is a commonly used, FDA approved sunscreen chemical with uVA-absorbing properties and an approved usage level of 5 to 10 percent. It protects a formulation from the effects of uV-light exposure. sulisobenzone is the drug name for benzophenone-4, a sunscreen chemical.

Technology Process of Sulisobenzone

There total 3 articles about Sulisobenzone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.82%

Benzophenone-3 (131-57-7,897050-18-9) → 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid (4065-45-6)

Guidance literature:

With sulfur trioxide; acetic acid; In 1,2-dichloro-ethane; at 25 ℃; for 3h; Inert atmosphere;

Reference yield:

4-benzoyloxy-2-methoxybenzenesulfonic acid → 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid (4065-45-6)

Guidance literature:

In methanol; at 35 ℃; for 0.333333h; UVB irradiation;

Reference yield:

→ 2-hydroxy-4-methoxybenzophenone-5-sulfonic acid (4065-45-6)

Guidance literature:

2-Hydroxy-4-methoxybenzophenon, Chlorsulfonsaeure;

upstream raw materials:

Benzophenone-3

Downstream raw materials:

2--4-methoxy-5-sulfo-benzophenon

Benzophenone-3

3,5-dichloro-2-hydroxy-4-methoxybenzophenone

5-benzoyl-3-chloro-4-hydroxy-2-methoxybenzenesulfonic acid

Refernces

• 1、 -. "Method for synthesizing BP-4 using microreactor". Paragraph 0031-0036. . Retrieved 2020/01/25.
• 2、 -. "Cosmetic compositions". . . Retrieved 2014/07/08.