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

Basic Information

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CAS Number

344-04-7

Molecular Formula

C6BrF5

Molecular Weight

246.96 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

−31 °C

Boiling Point

137°C

Water Solubility

Insoluble in water.

Refractive Index

n20/D 1.449(lit.)

SMILES

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C1(=C(C(=C(C(=C1F)F)Br)F)F)F

InChI

InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9

InChIKey

XEKTVXADUPBFOA-UHFFFAOYSA-N

LogP

3.1446

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

150

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

bromoperfluoro-benzene
2,3,4,5,6-Pentafluorobromobenzene
Bromopentafluorobenzene, purum, >=97.0% (GC)
DTXSID3047136
Bromoperfluorobenzene
Bromopentafluorobenzene, 99%
NSC 21630
C6F5Br
Pentafluorophenyl bromide
NSC21630
BBF
1-Bromo-2,3,4,5,6-pentafluoro-benzene
bromopentafluoro-benzene
B1116
Q27289044
1-Bromo-2,3,4,5,6-pentafluorobenzene #
1-Bromo-2,3,4,5,6-pentafluorobenzene
FT-0656416
benzene, 1-bromo-2,3,4,5,6-pentafluoro-
AMY3604
CHEMBL1231233
2,3,4,5,6-bromopentafluorobenzene
S88219080S
AKOS003652412
NCGC00256664-01
CS-W008751
NS00008315
FT-0623254
InChI=1/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)
MFCD00000287
344-04-7

MDL Number

MFCD00000287

Customs Code

29036990

FAQ

What is 1-Bromo-2,3,4,5,6-pentafluorobenzene (CAS: 344-04-7)?

1-Bromo-2,3,4,5,6-pentafluorobenzene is a brominated and fluoro-substituted aromatic compound with the molecular formula C6HBrF5. It is a colorless liquid with a high boiling point and is known for its stability under normal conditions. This compound is used as an intermediate in various chemical syntheses due to its unique combination of halogen atoms on the benzene ring.

What are the main uses of 1-Bromo-2,3,4,5,6-pentafluorobenzene (CAS: 344-04-7)?

1-Bromo-2,3,4,5,6-pentafluorobenzene is primarily used in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. It serves as a key intermediate in the production of various fluorinated compounds, which are valuable in drug development and industrial applications. Its reactivity and structural versatility make it relevant in research settings for creating new materials and compounds.

Is 1-Bromo-2,3,4,5,6-pentafluorobenzene (CAS: 344-04-7) safe?

While 1-Bromo-2,3,4,5,6-pentafluorobenzene is generally considered stable, it should be handled with care. It is toxic if inhaled or ingested and can cause skin and eye irritation. Safety measures include using proper personal protective equipment (PPE), working in well-ventilated areas, and following standard chemical safety protocols to minimize exposure and risk.

How should 1-Bromo-2,3,4,5,6-pentafluorobenzene (CAS: 344-04-7) be stored?

1-Bromo-2,3,4,5,6-pentafluorobenzene should be stored in a cool, dry, and well-ventilated place, away from light and moisture. It is best kept in a sealed, airtight container made of inert material such as glass or stainless steel. Storage conditions should maintain a temperature below 25°C and ensure low humidity to preserve stability and prevent degradation.