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Merck
CN

09286

Thiophenol

analytical standard

Synonym(s):

Benzenethiol, Phenyl mercaptan

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About This Item

Linear Formula:
C6H5SH
CAS Number:
108-98-5
Molecular Weight:
110.18
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329748755
EC Number:
203-635-3
Beilstein/REAXYS Number:
506523
MDL number:
MFCD00004826

Key Documents

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InChI key

RMVRSNDYEFQCLF-UHFFFAOYSA-N

InChI

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

SMILES string

Sc1ccccc1

grade

analytical standard

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

Quality Level

100

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

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Related Categories

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

signalword

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

3 - Flammable liquids

wgk

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

Regulatory Information

监管及禁止进口产品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCM7401
BCCH3530
BCCJ2378
BCCF8507
BCCC8027

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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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