Methyl pentafluorobenzoate

Basic Information

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CAS Number

36629-42-2

Molecular Formula

C8H3F5O2

Molecular Weight

226.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

223 ºC

Refractive Index

n20/D 1.431(lit.)

SMILES

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

InChI

InChI=1S/C8H3F5O2/c1-15-8(14)2-3(9)5(11)7(13)6(12)4(2)10/h1H3

InChIKey

UXJRQNXHCZKHRJ-UHFFFAOYSA-N

LogP

2.1687000000000003

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

233

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

J-522621
Perfluorobenzoic Acid Methyl Ester
methyl 2,3,4,5,6-pentafluorobenzoate;Methyl Pentafluorobenzoate
methyl pentafluorbenzoate
EN300-62039
P1418
SCHEMBL1719721
Methyl 2,3,4,5,6-pentafluorobenzoate
Methyl pentafluorobenzoate, 99%
GS-3498
Pentafluorobenzoic Acid Methyl Ester
36629-42-2
Benzoic acid, 2,3,4,5,6-pentafluoro-, methyl ester
CS-W010431
AM20040290
Methyl pentafluorobenzoate
SY022018
A823316
MFCD00012172
FT-0628773
Pentafluorobenzoic acid, methyl ester
Z440598412
AC-29924
AKOS002723486
Benzoic acid, pentafluoro-, methyl ester
METHYLPENTAFLUOROBENZOATE
Methyl Perfluorobenzoate
Methyl 2,3,4,5,6-pentafluorobenzoate #
DTXSID70345753
ISOPROPYLPHENYLPHOSPHINYLCHLORIDE
Methyl Pentafluorobenzoate

MDL Number

MFCD00012172

Customs Code

2916399090

FAQ

What is Methyl pentafluorobenzoate (CAS: 36629-42-2)?

Methyl pentafluorobenzoate is an organic compound with the CAS number 36629-42-2. It has the chemical formula C7H4F5O2 and is a colorless crystalline solid. This compound is used in research, pharmaceuticals, and as a precursor in organic synthesis due to its stability and reactivity.

What are the main uses of Methyl pentafluorobenzoate (CAS: 36629-42-2)?

Methyl pentafluorobenzoate (CAS: 36629-42-2) is primarily used in research and as a precursor in organic synthesis. It is also utilized in the pharmaceutical industry for its stability and reactivity, and can be found in some formulations but is not widely used in food or cosmetic products.

Is Methyl pentafluorobenzoate (CAS: 36629-42-2) safe?

Methyl pentafluorobenzoate (CAS: 36629-42-2) is generally considered safe when handled properly. However, it is a hazardous material and should be used with caution. Proper protective measures, such as gloves and goggles, should be worn. Inhaling the vapor or coming into contact with the skin should be avoided.

How should Methyl pentafluorobenzoate (CAS: 36629-42-2) be stored?

Methyl pentafluorobenzoate (CAS: 36629-42-2) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent exposure to air and moisture. The storage area should be well-ventilated, and the compound should be handled by trained personnel only.