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251186

1,3-Bis(trifluoromethyl)benzene

99%

Synonym(s):

α,α,α,α′,α′,α′-Hexafluoro-m-xylene

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About This Item

Linear Formula:
C6H4(CF3)2
CAS Number:
402-31-3
Molecular Weight:
214.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24855115
EC Number:
206-939-4
Beilstein/REAXYS Number:
2052589
MDL number:
MFCD00000392
Assay:
99%
Form:
liquid
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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.)

functional group

fluoro

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

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.

Application


  • Electrogenerated chemiluminescence of 9,10-diphenylanthracene, rubrene, and anthracene in fluorinated aromatic solvents.: This study explores the electrogenerated chemiluminescence (ECL) properties of various aromatic compounds in fluorinated solvents, including 1,3-Bis(trifluoromethyl)benzene. The research highlights the efficiency and stability of ECL in these fluorinated environments, which can be crucial for applications in high-performance liquid chromatography (HPLC) and other analytical techniques (Vinyard et al., 2008).

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

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

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ0940
MKCX2424
MKCT2754
MKCS2517
MKCR7213

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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
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Global Trade Item Number

SKUGTIN
251186-100G04061837071959
251186-25G04061825937618