Pentafluorobenzoyl chloride

Basic Information

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CAS Number

2251-50-5

Molecular Formula

C7ClF5O

Molecular Weight

230.52 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

158-159 °C

Flash Point

None

Refractive Index

n20/D 1.453(lit.)

SMILES

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C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)Cl

InChI

InChI=1S/C7ClF5O/c8-7(14)1-2(9)4(11)6(13)5(12)3(1)10

InChIKey

MYHOHFDYWMPGJY-UHFFFAOYSA-N

LogP

2.7611000000000003

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

222

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

SCHEMBL1657
A816237
FT-0634166
4RXU8P4SDS
EINECS 218-842-4
C7ClF5O
pentafluorobenzoychloride
MFCD00000657
UNII-4RXU8P4SDS
EN300-20107
AKOS005173371
2251-50-5
J-014749
Q27119861
P0807
2,3,4,5,6-PENTAFLUOROBENZOIC ACID CHLORIDE
NSC-97002
BENZOYL CHLORIDE, 2,3,4,5,6-PENTAFLUORO-
PS-10681
2,3,4,5,6-pentafluorobenzoylchloride
DTXSID90177033
Pentafluorobenzoyl chloride
CHEBI:39425
2,3,4,5,6-Pentafluorobenzoyl chloride, 99%
F0001-0792
Perfluorobenzoyl chloride
Benzoyl chloride, pentafluoro-
NSC97002
2,3,4,5,6-Pentafluorobenzoyl chloride
NS00049161
pentafluorobenzoylchloride

MDL Number

MFCD00000657

Customs Code

29163900

FAQ

What are the physical and chemical properties of Pentafluorobenzoyl chloride (CAS: 2251-50-5)?

Pentafluorobenzoyl chloride is a colorless to pale yellow liquid with a molecular weight of approximately 243.01 g/mol. It is highly soluble in organic solvents but is only slightly soluble in water. Chemically, it is highly reactive, acting as a strong electrophile and capable of forming various fluorinated compounds under certain conditions.

How is pentafluorobenzoyl chloride (CAS: 2251-50-5) typically synthesized?

Pentafluorobenzoyl chloride is typically synthesized by the reaction of pentafluorobenzoyl bromide with hydrogen chloride. This synthesis can occur under mild conditions, but catalysts such as aluminum chloride are often used to improve yield and selectivity. The process usually involves refluxing the mixture to promote reaction completion.

What industries use pentafluorobenzoyl chloride (CAS: 2251-50-5)?

Pentafluorobenzoyl chloride is used in various industries, including pharmaceuticals for the synthesis of fluorine-containing compounds, polymers for creating fluorinated materials, sensors for detecting specific gases, and semiconductors for doping processes. Its unique properties make it valuable in these applications due to its high reactivity and fluorine content.

What precautions should be taken when handling pentafluorobenzoyl chloride (CAS: 2251-50-5)?

Handling pentafluorobenzoyl chloride requires strict precautions due to its reactivity. It should be stored in a cool, dry place, away from sources of heat and ignition. Fume hoods should be used during handling to minimize inhalation risk. Personal protective equipment (PPE) such as gloves, goggles, and a lab coat is essential. In case of a spill, immediately notify safety personnel and follow the appropriate spill response procedures as outlined in the Safety Data Sheet (SDS).