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251186

Sigma-Aldrich

1,3-Bis(trifluoromethyl)benzene

99%

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Synonym(s):
α,α,α,α′,α′,α′-Hexafluoro-m-xylene
Linear Formula:
C6H4(CF3)2
CAS Number:
Molecular Weight:
214.11
Beilstein/REAXYS Number:
2052589
EC Number:
MDL number:
PubChem Substance ID:

Quality Level

assay

99%

form

liquid

refractive index

n20/D 1.379 (lit.)

bp

116-116.3 °C (lit.)

density

1.378 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)c1cccc(c1)C(F)(F)F

InChI

1S/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H

InChI key

SJBBXFLOLUTGCW-UHFFFAOYSA-N

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1 of 4

This Item
290556167703337064
1,3-Bis(trifluoromethyl)benzene 99%

251186

1,3-Bis(trifluoromethyl)benzene

3-(Trifluoromethyl)benzyl bromide 98%

290556

3-(Trifluoromethyl)benzyl bromide

3-(Trifluoromethyl)benzyl chloride 97%

167703

3-(Trifluoromethyl)benzyl chloride

(Trifluoromethoxy)benzene 99%

337064

(Trifluoromethoxy)benzene

Quality Level

100

Quality Level

200

Quality Level

100

Quality Level

100

refractive index

n20/D 1.379 (lit.)

refractive index

n20/D 1.492 (lit.)

refractive index

n20/D 1.464 (lit.)

refractive index

n20/D 1.406 (lit.)

bp

116-116.3 °C (lit.)

bp

69 °C/4 mmHg (lit.)

bp

-

bp

102 °C (lit.)

density

1.378 g/mL at 25 °C (lit.)

density

1.565 g/mL at 25 °C (lit.)

density

1.254 g/mL at 25 °C (lit.)

density

1.226 g/mL at 25 °C (lit.)

form

liquid

form

-

form

liquid

form

liquid

General description

Lithiation reaction of 1,3-bis(trifluoromethyl)benzene has been investigated. 1,3-Bis(trifluoromethyl)benzene undergoes regioselective metalation and subsequent carboxylation at position 2 to give 2,6-bis(trifluoromethyl)benzoic acid.

signalword

Warning

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

78.8 °F - closed cup

flash_point_c

26 °C - closed cup

ppe

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


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The Metalation of 1, 3-Bis (trifluoromethyl) benzene by n butyllithium.
Aeberli P and Houlihan WJ.
Journal of Organometallic Chemistry, 67(3), 321-325 (1974)
A site selective functionalisation of 1, 3-bis (trifluoromethyl) benzene.
Dmowski W and Piasecka-Maciejewska K.
Tetrahedron, 54(24), 6781-6792 (1998)
Chenyu Lin et al.
BMC chemistry, 14(1), 66-66 (2020-12-10)
For analysis of weak π-π complexes proton-nuclear magnetic resonance (proton-NMR) simultaneously provides information of stacking configurations and association constants [Formula: see text] However, an apparent issue for this approach is inconsistent/impossible constant estimation which often leads to unreasonable interpretation for
Jia Liu et al.
Proceedings of the National Academy of Sciences of the United States of America, 117(26), 14769-14778 (2020-06-17)
Electrophysiological mapping of chronic atrial fibrillation (AF) at high throughput and high resolution is critical for understanding its underlying mechanism and guiding definitive treatment such as cardiac ablation, but current electrophysiological tools are limited by either low spatial resolution or

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