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4-(Phenylthio)benzoic acid, also known as 4-phenylthiobenzoic acid or PTBA, is an organic compound with the chemical formula C13H10O2S. It is a white crystalline solid that is soluble in organic solvents and has a molecular weight of 230.29 g/mol. 4-(Phenylthio)benzoic acid is characterized by the presence of a phenylthio group (a sulfur atom bonded to a benzene ring) attached to a benzoic acid molecule, which consists of a benzene ring with a carboxyl group. 4-(Phenylthio)benzoic acid is used in various applications, including as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is also employed in the preparation of dyes and pigments, as well as in the production of certain polymers. Due to its chemical structure, it exhibits properties such as UV absorption and antioxidant activity, making it a valuable component in various industrial processes.

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  • 6310-24-3 Structure
  • Basic information

    1. Product Name: 4-(Phenylthio)Benzoic Acid
    2. Synonyms: 4-(Phenylthio)Benzoic Acid;4-phenylsulfanylbenzoic acid;AIDS124648;AIDS-124648;NSC 43054;NSC43054;ST5429423
    3. CAS NO:6310-24-3
    4. Molecular Formula: C13H10O2S
    5. Molecular Weight: 230.2823
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 6310-24-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 422°Cat760mmHg
    3. Flash Point: 209°C
    4. Appearance: /
    5. Density: 1.31g/cm3
    6. Vapor Pressure: 7.09E-08mmHg at 25°C
    7. Refractive Index: 1.674
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-(Phenylthio)Benzoic Acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-(Phenylthio)Benzoic Acid(6310-24-3)
    12. EPA Substance Registry System: 4-(Phenylthio)Benzoic Acid(6310-24-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 6310-24-3(Hazardous Substances Data)

6310-24-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 6310-24-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,3,1 and 0 respectively; the second part has 2 digits, 2 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 6310-24:
(6*6)+(5*3)+(4*1)+(3*0)+(2*2)+(1*4)=63
63 % 10 = 3
So 6310-24-3 is a valid CAS Registry Number.
InChI:InChI=1/C13H10O2S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)

6310-24-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-phenylsulfanylbenzoic acid

1.2 Other means of identification

Product number -
Other names benzoic acid,4-(phenylthio)

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:6310-24-3 SDS

6310-24-3Relevant articles and documents

Environmentally Friendly and Recyclable CuCl 2-Mediated C-S Bond Coupling Strategy Using DMEDA as Ligand, Base, and Solvent

Shen, Guodong,Lu, Qichao,Wang, Zeyou,Sun, Weiwei,Zhang, Yalin,Huang, Xianqiang,Sun, Manman,Wang, Zhiming

supporting information, p. 184 - 198 (2021/09/20)

Simple reaction conditions and recyclable reagents are crucial for environmentally friendly industrial applications. An environment-friendly, recyclable and economic strategy was developed to synthesize diaryl chalcogenides by the CuCl2-catalyzed C S bondformation reaction via iodobenzenes and benzenethiols/1,2-diphenyldisulfanes using N,N'-dimethylethane-1,2-diamine (DMEDA) as ligand, base, and solvent. For these reactions, especially the reactions of diiodobenzenes and aminobenzenethiols/disulfanediyldianilines, a range of substrates are compatible and give the corresponding products in good to excellent yields. Both of the reagents in the catalytic system (CuCl2/DMEDA) are inexpensive, conveniently separable, and recyclable for more than five cycles.

Achieving Nickel Catalyzed C-S Cross-Coupling under Mild Conditions Using Metal-Ligand Cooperativity

Sikari, Rina,Sinha, Suman,Das, Siuli,Saha, Anannya,Chakraborty, Gargi,Mondal, Rakesh,Paul, Nanda D.

, p. 4072 - 4085 (2019/04/01)

A simple and efficient approach of C-S cross-coupling of a wide variety of (hetero)aryl thiols and (hetero)aryl halides under mild conditions, mostly at room temperature, catalyzed by well-defined singlet diradical Ni(II) catalysts bearing redox noninnocent ligands is reported. Taking advantage of ligand centered redox events, the high-energetic Ni(0)/Ni(II) or Ni(I)/Ni(III) redox steps were avoided in the catalytic cycle. The cooperative participation of both nickel and the coordinated ligands during oxidative addition/reductive elimination steps allowed us to perform the catalytic reactions under mild conditions.

Highly active bidentate N-heterocyclic carbene/ruthenium complexes performing dehydrogenative coupling of alcohols and hydroxides in open air

Wang, Zhi-Qin,Tang, Xiao-Sheng,Yang, Zhao-Qi,Yu, Bao-Yi,Wang, Hua-Jing,Sang, Wei,Yuan, Ye,Chen, Cheng,Verpoort, Francis

supporting information, p. 8591 - 8594 (2019/07/25)

Eight bidentate NHC/Ru complexes, namely [Ru]-1-[Ru]-8, were designed and prepared. In particular, [Ru]-2 displayed extraordinary performance even in open air for the dehydrogenative coupling of alcohols and hydroxides. Notably, an unprecedentedly low catalyst loading of 250 ppm and the highest TON of 32 800 and TOF of 3200 until now were obtained.

Carbazole oxime ester compound and synthetic method and application thereof

-

Paragraph 0125; 0126; 0127, (2017/09/13)

The invention discloses a carbazole oxime ester compound shown as in general formula I that is shown in the description; the carbazole oxime ester compound with the structure of general formula I has the advantages of good solubility, thermal stability, high photosensitive activity and low toxicity; a photoinitiator has excellent applicability and very high photosensitivity, exhibits very high photosensitive activity when exposed to LEDs, LDI (Liniarc direct/indirect) and other light sources, the production efficiency of photosensitive compositions such as in the preparation of color filters and other application fields is significantly improved, and the efficiency is significantly better than that of existing products.

Ascorbic Acid Promoted Metal-Free Synthesis of Aryl Sulfides with Anilines Nitrosated in Situ by tert -Butyl Nitrite

Bu, Mei-Jie,Lu, Guo-Ping,Cai, Chun

supporting information, p. 1841 - 1846 (2015/08/06)

A mild, metal-free synthesis of aryl sulfides has been disclosed. Aryl diazonium ion was generated by the in situ nitrosation of aniline, and it was reduced by ascorbic acid (vitamin C) to form aryl radical, which underwent a thiolation with disulfide to yield aryl sulfide. The reaction proceeded smoothly without heating or irradiation. This strategy was also expanded to the synthesis of aryl selenides.

Modulators of methyl modifying enzymes, compositions and uses thereof

-

Page/Page column 129, (2015/12/26)

Agents for modulating methyl modifying enzymes, compositions and uses thereof are provided herein.

Nickel-Schiff base complex catalyzed C-S cross-coupling of thiols with organic chlorides

Gogoi, Prasanta,Hazarika, Sukanya,Sarma, Manas J.,Sarma, Kuladip,Barman, Pranjit

, p. 7484 - 7489 (2014/12/10)

We report an efficient, mild and convenient synthetic protocol for the C-S cross-coupling reaction of various aryl, benzyl, allyl chlorides and thiols using 5 mol % Nickel-Schiff base catalyst with NaOH as the base, in DMF at 70 °C. Using this protocol, we have shown that a variety of aryl sulfides can be synthesized in excellent yields from readily available organic chlorides and thiols.

An efficient protocol for the carbon-sulfur cross-coupling of sulfenyl chlorides with arylboronic acids using a palladium catalyst

Gogoi, Prasanta,Kalita, Mukul,Barman, Pranjit

, p. 866 - 870 (2014/04/03)

An efficient protocol for carbon-sulfur bond formation is developed, which involves the cross-coupling of sulfenyl chlorides and arylboronic acids catalyzed by a novel palladium-Schiff base complex. Good to high product yields, short reaction times, and mild reaction conditions are important features of this new method. Georg Thieme Verlag Stuttgart · New York.

An efficient heterogeneous Cu-grafted mesoporous organosilicas nanocatalyst for two and three component C-S coupling reactions

Mondal, John,Salam, Noor,Bhaumik, Asim

, p. 4883 - 4895 (2013/08/23)

Furfural-imine functionalized mesoporous organosilica material has been synthesized by postsynthesis surface functionalization of 2D-hexagnoal mesoporous SBA-15 with organosilane precursor 3-aminopropyltriethoxy-silane (APTES) followed by Schiff-base condensation with furfural. On the other hand, furfural-imine functionalized MCM-41 has been synthesized by Schiff-base condensation of furfural and 3-aminopropyltriethoxy-silane (APTES) followed by its hydrothermal co-condensation with tetraethylorthosilicate (TEOS) in the presence of a cationic surfactant CTAB. Subsequent reaction of the imine-functionalized mesoporous organosilicas with Cu(OAc)2 in absolute ethanol produced Cu(II)-grafted mesoporous nanocatalysts 1 and 2, respectively. Powder XRD, HR TEM, FE SEM, N2 sorption and EPR experimental tolls are employed to characterize these Cu-grafted furfural-imine functionalized nanocatalysts. Cu-grafted MCM-41 (1) showed very good catalytic efficiency for the coupling of aryl bromides and thiophenol under aerobic conditions to produce different thioethers. On the other hand, Cu-anchored mesoporous SBA-15 nanocatalyst (2) exhibited high catalytic activity for one-pot three component coupling of different aryl halides with thiourea and benzyl bromide in aqueous medium to produce different aryl alkyl thioethers in very good yields. Both Cu-grafted mesoporous nanocatalysts can be efficiently reused for several reaction cycles. Copyright

MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF

-

Paragraph 00234; 00236, (2013/06/05)

Agents for modulating methyl modifying enzymes, compositions and uses thereof are provided herein

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