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Merck
CN

88470

Thioanisole

ReagentPlus®, ≥99%

Synonym(s):

Methyl phenyl sulfide

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About This Item

Linear Formula:
C6H5SCH3
CAS Number:
100-68-5
Molecular Weight:
124.20
EC Number:
202-878-2
UNSPSC Code:
12352100
PubChem Substance ID:
329769654
Beilstein/REAXYS Number:
1904179
MDL number:
MFCD00008559

Key Documents

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InChI key

HNKJADCVZUBCPG-UHFFFAOYSA-N

InChI

1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

SMILES string

CSc1ccccc1

product line

ReagentPlus®

assay

≥99%

bp

188 °C (lit.)

mp

−15 °C (lit.)

density

1.057 g/mL at 20 °C (lit.)

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Other Notes

Efficient promotor for the acid catalyzed cleavage of N-Z, O-benzyl and O-methyl protecting groups

Legal Information

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

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Storage Class

10 - Combustible liquids

flash_point_f

163.4 °F - closed cup

flash_point_c

73 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - Skin Sens. 1B

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBF8528V

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Y. Kiso et al.
Journal of the Chemical Society. Chemical Communications, 971-971 (1979)
Journal of the Chemical Society. Chemical Communications, 101-101 (1980)
Chemical & Pharmaceutical Bulletin, 26, 2562-2562 (1978)
Jeong Sik Lim et al.
Nature chemistry, 2(8), 627-632 (2010-07-24)
Chemical reactions that occur in the ground electronic state are described well by invoking the Born-Oppenheimer approximation, which allows their development to be rationalized by nuclear rearrangements that smoothly traverse an adiabatic potential energy surface. The situation is different, however
Yunho Lee et al.
Inorganic chemistry, 49(19), 8873-8885 (2010-09-09)
To better understand the effect of thioether coordination in copper-O(2) chemistry, the tetradentate N(3)S ligand L(ASM) (2-(methylthio)-N,N-bis((pyridin-2-yl)methyl)benzenamine) and related alkylether ligand L(EOE) (2-ethoxy-N,N-bis((pyridin-2-yl)methyl)ethanamine) have been studied. The corresponding copper(I) complexes, [(L(ASM))Cu(I)](+) (1a) and [(L(EOE))Cu(I)](+) (3a), were studied as were the
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