240249

Thiophenol

≥99%

• Synonym(s): Benzenethiol, Phenyl mercaptan
• Linear Formula: C₆H₅SH
• CAS Number: 108-98-5
• Molecular Weight: 110.18
• Beilstein/REAXYS Number: 506523
• EC Number: 203-635-3
• MDL number: MFCD00004826
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854411
• NACRES: NA.22

Properties

• vapor density: 3.8 (vs air)
• vapor pressure: 1.4 mmHg ( 20 °C)
• assay: ≥99%
• form: liquid
• refractive index: n20/D 1.588 (lit.)
• bp: 169 °C (lit.)
• mp: −15 °C (lit.)
• solubility: alcohol: very soluble(lit.); benzene: miscible(lit.); carbon disulfide: miscible(lit.); diethyl ether: miscible(lit.); water: insoluble(lit.)
• density: 1.073 g/mL at 25 °C (lit.)
• SMILES string: Sc1ccccc1
• InChI: 1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
• InChI key: RMVRSNDYEFQCLF-UHFFFAOYSA-N

Description

Application

The Progress in Development of Dental Restorative Materials

Thiophenol can be used:

• To prepare (3H-benzo[c][1,2]diselenol-3-yl)(phenyl)sulfane and β-lactones.
• As a surface capping ingredient in the preparation Fe-doped ZnS nanoparticles exhibiting ferromagnetic properties.
• As an oxygen scavenger in the N-deacetylation of chitin to yield chitosan C.
• As an activator in the coupling reactions of carboxylic acids with isonitriles.

Safety Information

• pictograms: GHS02,GHS06,GHS08,GHS05,GHS09
• signalword: Danger
• hcodes: H226,H300 + H310 + H330,H315,H318,H361,H410
• pcodes: P210 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 1 Inhalation - Acute Tox. 2 Dermal - Acute Tox. 2 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Repr. 2 - Skin Irrit. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 122.0 °F - closed cup
• flash_point_c: 50 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter