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09286

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Thiophenol

analytical standard

Synonym(s):

Benzenethiol, Phenyl mercaptan

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About This Item

Linear Formula:
C6H5SH
CAS Number:
Molecular Weight:
110.18
Beilstein:
506523
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

vapor density

3.8 (vs air)

vapor pressure

1.4 mmHg ( 20 °C)

product line

PESTANAL®

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.588 (lit.)

bp

169 °C (lit.)

mp

−15 °C (lit.)

density

1.073 g/mL at 25 °C (lit.)

application(s)

agriculture
cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

SMILES string

Sc1ccccc1

InChI

1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H

InChI key

RMVRSNDYEFQCLF-UHFFFAOYSA-N

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General description

Thiophenol is an organosulfur compound, which is used as a raw material for the syntheses of pesticides, polymers, and pharmaceuticals.

Application

Thiophenol may be used as an analytical reference standard for the quantification of the analyte in water samples using chromatography techniques.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

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 Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

122.0 °F - closed cup

Flash Point(C)

50 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Deep eutectic solvent-based emulsification liquid?liquid microextraction coupled with gas chromatography for the determination of thiophenols in water samples
Babaee S, et al.
Analytical Methods : Advancing Methods and Applications, 11(12), 1663-1670 (2019)
Analysis of phenolic compounds in industrial wastewater with high-performance liquid chromatography and post-column reaction detection
Fiehn O and Jekel M
Journal of Chromatography A, 769(2), 189-200 (1997)
Dnyaneshwar Kand et al.
The Analyst, 137(17), 3921-3924 (2012-07-04)
A BODIPY-based selective thiophenol probe capable of discriminating aliphatic thiols is reported. The fluorescence off-on effect upon reaction with thiol is elucidated with theoretical calculations. The sensing of thiophenol is associated with a color change from red to yellow and
Run Zhang et al.
Bioconjugate chemistry, 23(4), 725-733 (2012-03-23)
Ruthenium(II) complexes have rich photophysical attributes, which enable novel design of responsive luminescence probes to selectively quantify biochemical analytes. In this work, we developed a systematic series of Ru(II)-bipyrindine complex derivatives, [Ru(bpy)(3-n)(DNP-bpy)(n)](PF(6))(2) (n = 1, 2, 3; bpy, 2,2'-bipyridine; DNP-bpy
J-Q Shi et al.
Ecotoxicology and environmental safety, 78, 134-141 (2011-12-14)
The acute toxicity (-log EC(50)) to Photobacterium phosphoreum and the n-octanol/water partition coefficient (log K(ow)) of 31 kinds of substituted thiophenols were determined at 298.15K. The -log EC(50) values of studied chemicals are between 4.26 and 5.89. Their log K(ow)

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