CID 1712019

Base Information

• Chemical Name: CID 1712019
• CAS No.: 27503-81-7
• Molecular Formula: C13H10N2O3S
• Molecular Weight: 274.3
• Hs Code.: 29339990
• Mol file: 27503-81-7.mol

Synonyms:

Chemical Property of CID 1712019

Chemical Property:

• Appearance/Colour: white fine crystalline powder
• Melting Point: 300 °C
• Refractive Index: 1.6360 (estimate)
• PKA: -0.87±0.40(Predicted)
• Flash Point: >100oC
• PSA: 91.43000
• Density: 1.497 g/cm³
• LogP: 3.55740
• Storage Temp.: 2-8°C
• Solubility.: ethanol and water: soluble ((as sodium salt))
• Water Solubility.: soluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 274.04121336
• Heavy Atom Count: 19
• Complexity: 401

Purity/Quality:

98%-102% ^*data from raw suppliers

2-Phenyl-5-Benzimidazolesulfonic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=[NH+]C3=C(N2)C=C(C=C3)S(=O)(=O)[O-]
• Uses: ensulizole is one of the chemical names for phenylbenzimidazole sulfonic acid. used as a sunscreen ingredient and also to protect a product from deterioration caused by uV light. phenylbenzimidazole sulfonic acid (2-phenyl-5-benzimidazolesulfonic acid; 2-phenylbenzimidazole-5-sulfonic acid, ensulizole) is one of 21 FDA-approved sunscreen chemicals for uVB absorption. It has an approved usage level of up to 4 percent in the united States and up to 8 percent in the european union. When combined with a proper base, it becomes a water-soluble sunscreen. It exhibits a very effective use level versus SPF relationship when compared to other sunscreen chemicals. In addition, when combined with other uVB absorbers, it seems to significantly boost SPF. It can also help protect a product from deterioration when exposed to uV light. Also considered excellent for use in clear sunscreen gels. Phenylbenzimidazole sulfonic acid or ensulizole is a water-soluble UVB absorber that can be utilized in the water phase of emulsion systems, in contrast to most oil-soluble sunscreen ingredients, allowing for a less greasy, more aesthetically pleasing formulation such as a daily use moisturizer containing sunscreen. Phenylbenzimidazole sulfonic acid boosts the SPF of organic and inorganic sunscreens. It can also be used in clear gels owing to its water solubility.

Technology Process of CID 1712019

There total 4 articles about CID 1712019 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: 98.7%

2-phenyl-1H-benzoimidazole (716-79-0) → 2-phenyl-1H-benzimidazole-5-sulfonic acid (27503-81-7)

Guidance literature:

With sulfuric acid; at 40 - 85 ℃; Reagent/catalyst; Temperature;

Reference yield: 76.0%

orthaminic acid (7474-78-4) + benzoic acid (65-85-0,8013-63-6) → 2-phenyl-1H-benzimidazole-5-sulfonic acid (27503-81-7)

Guidance literature:

With tetrabutyl-ammonium chloride; In water; toluene; at 160 ℃; for 0.283333h; Microwave irradiation;

DOI:10.5012/jkcs.2010.54.5.589

Reference yield:

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) → 2-phenyl-1H-benzimidazole-5-sulfonic acid (27503-81-7)

Guidance literature:

upstream raw materials:

benzoic acid methyl ester

orthaminic acid

benzoic acid

2-phenyl-1H-benzoimidazole

Downstream raw materials:

2-phenyl-1⁽³⁾H-benzoimidazole-5-sulfonyl chloride

(1r,1r)-4-(2-phenyl-1H-benzo[d]imidazole-5-sulfonamido)-N-((R)-1-phenylethyl)cyclohexanecarboxamide

Refernces

• 1、 -. "Preparation method of ultraviolet absorber 2-phenylbenzimidazole-5-sulfonic acid". Paragraph 0027-0048. . Retrieved 2020/07/13.
• 2、 Guan, Lei,Luo, Guanhua,Wang, Ying. "Synthesis, crystal structure and properties of 2-phenyl-1H-benzo[d]imidazole-5-sulfonic acid". . p. 345 - 350. Retrieved 2018/09/29.