1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

Basic Information

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CAS Number

335-56-8

Molecular Formula

C6BrF13

Molecular Weight

398.94 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Basic Physical Properties

Melting Point

-49 ºC

Boiling Point

100°C

Flash Point

13 ºC

Refractive Index

n20/D 1.3(lit.)

SMILES

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C(C(C(C(F)(F)Br)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C6BrF13/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20

InChIKey

JTYRBFORUCBNHJ-UHFFFAOYSA-N

LogP

5.0776

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

366

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXSID80187141
D82903
CS-0121154
SY050118
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane #
A821832
J-019253
Bromoperfluorohexane
Tridecafluorohexyl Bromide
1-Bromoperfluorohexane
SCHEMBL248644
MFCD00042349
Hexane, 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-
FS-3848
NS00018947
1-Bromotridecafluorohexane
Tridecafluoro-1-bromohexane
Perfluorohexyl bromide
Perfluorohexyl bromide, 98%
EINECS 206-391-6
335-56-8
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
3-Amino-8-methyl-thieno[2,3-b]quinoline-2-carboxylicacid
AKOS005258174
Perfluorohexylbromide
C6BrF13
FT-0607544
T2479
1-bromoperfluorohexane
1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
bromotridecafluorohexane

MDL Number

MFCD00042349

Customs Code

2903799090

FAQ

What are the physical and chemical properties of 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (CAS: 335-56-8)?

1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (CAS: 335-56-8) is a colorless, crystalline solid. It has a molecular weight of approximately 429.7 g/mol and is virtually insoluble in water but soluble in organic solvents like dichloromethane and toluene. It exhibits low reactivity, making it suitable for various synthetic applications without significant decomposition. It is characterized by high stability and low vapor pressure, ensuring safe handling and storage under standard laboratory conditions.

How is 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (CAS: 335-56-8) typically synthesized?

1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (CAS: 335-56-8) is synthesized through the reaction of hexafluorocyclohexane with bromine in the presence of a Lewis acid catalyst, such as aluminum bromide. The reaction is typically carried out under an inert atmosphere to prevent decomposition. The yield is high, and the product is isolated by recrystallization from an appropriate solvent, ensuring purity and high-quality final product.

What industries use 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (CAS: 335-56-8)?

1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (CAS: 335-56-8) is used in the pharmaceutical industry for the synthesis of certain drug precursors, in the polymer industry for the modification of polymers, and in the semiconductor industry for the production of high-purity gases and materials. It is also utilized in the sensor industry for developing gas sensors due to its stable and non-reactive nature.

What precautions should be taken when handling 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (CAS: 335-56-8)?

When handling 1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (CAS: 335-56-8), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a fume hood to minimize exposure risk. Spills should be cleaned up immediately using absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.