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Merck
CN

536083

3,5-Bis(trifluoromethyl)benzenethiol

97%

Synonym(s):

3,5-Bis(trifluoromethyl)thiophenol

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About This Item

Linear Formula:
(CF3)2C6H3SH
CAS Number:
130783-02-7
Molecular Weight:
246.17
NACRES:
NA.22
PubChem Substance ID:
24878135
UNSPSC Code:
12352100
MDL number:
MFCD00042273

Key Documents

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Product Name

3,5-Bis(trifluoromethyl)benzenethiol, 97%

InChI

1S/C8H4F6S/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H

SMILES string

FC(F)(F)c1cc(S)cc(c1)C(F)(F)F

InChI key

KCAQWPZIMLLEAF-UHFFFAOYSA-N

assay

97%

refractive index

n20/D 1.442 (lit.)

bp

167 °C (lit.)

density

1.46 g/mL at 25 °C (lit.)

functional group

fluoro

Quality Level

200

Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

150.1 °F - closed cup

flash_point_c

65.6 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH7071
BCBS4919V
BCBQ0368V
BCBP6438V
BCBH8115V

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Suhailah S Al-Jameel et al.
World journal of microbiology & biotechnology, 34(4), 52-52 (2018-03-20)
Hay synthesis of a novel series of symmetrically tetra-substituted thiophenyl zinc(II)phthalocyanines (RS)4ZnPcs 4a-c was reported. Their novel 4-thiophenyl-phthalonitriles precursors 3(a-c) were synthesized from their substituted thiophenols 2(a-c). They were screened for their in-vitro antitumor activity on Human lung adenocarcinoma (A549)
Elzbieta Stepula et al.
ACS applied materials & interfaces, 12(29), 32321-32327 (2020-06-24)
There is an urgent clinical need for multicolor imaging of single cancer cells (no ensemble averaging) for identifying heterogenous expression of predictive biomarkers. Specifically, the comprehensive characterization of single disseminated tumor cells (sDTCs) responsible for metastatic relapse is the key

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