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536083

Sigma-Aldrich

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
MDL number:
MFCD00042273
UNSPSC Code:
12352100
PubChem Substance ID:
24878135
NACRES:
NA.22

Quality Level

200

assay

97%

refractive index

n20/D 1.442 (lit.)

bp

167 °C (lit.)

density

1.46 g/mL at 25 °C (lit.)

SMILES string

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

InChI

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

InChI key

KCAQWPZIMLLEAF-UHFFFAOYSA-N

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_germany

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCBS4919V
BCBQ0368V
BCBP6438V
BCBH8115V
BCBB4532V

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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)

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