Ethyl 4-fluorobenzoate

Basic Information

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CAS Number

451-46-7

Molecular Formula

C9H9FO2

Molecular Weight

168.17 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

25-27°C

Boiling Point

210 °C

Refractive Index

n20/D 1.486(lit.)

SMILES

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CCOC(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3

InChIKey

UMPRJGKLMUDRHL-UHFFFAOYSA-N

LogP

2.0023999999999997

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

151

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

DTXSID6060006
MFCD00000351
SY003268
Benzoic acid, p-fluoro-, ethyl ester
Ethyl p-fluorobenzoate
CS-W017810
2X65353N8G
SCHEMBL62862
Benzoic acid, 4-fluoro-, ethyl ester
PARA-FLUOROBENZOIC ACID ETHYL ESTER
PS-8725
NSC 190692
AB9272
NSC190692
Ethyl 4-fluorobenzoate
451-46-7
p-Fluorobenzoic acid, ethyl ester
ethyl 4-fluoro-benzoate
4-Fluorobenzoic acid, ethyl ester
NS00031489
ethyl-4-fluorobenzoate
4-fluoro-benzoic acid ethyl ester
Ethyl para-fluorobenzoate
EINECS 207-194-8
Ethyl 4-fluorobenzoate, 99%
4-fluoro benzoic acid ethyl ester
FT-0618510
AKOS004911144
ETHYL4-FLUOROBENZOATE
AM20060907
F0001-1223

MDL Number

MFCD00000351

Customs Code

29163900

FAQ

What regulatory guidelines apply to Ethyl 4-fluorobenzoate (CAS: 451-46-7)?

Ethyl 4-fluorobenzoate (CAS: 451-46-7) falls under the Chemicals of Very High Concern (SVHC) list under REACH regulations in the European Union. It is also classified and labeled according to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) with specific hazard statements for environmental and health risks. In the United States, FDA and EPA regulations may apply, particularly for the use in pharmaceuticals, pesticides, and consumer products.

Are there alternatives to Ethyl 4-fluorobenzoate (CAS: 451-46-7) in synthesis?

Yes, alternatives to Ethyl 4-fluorobenzoate (CAS: 451-46-7) include other aromatic acids and esters, such as ethyl 4-chlorobenzoate and ethyl 4-methoxybenzoate, which can be used as substituent compounds in various organic synthesis processes. Additionally, isomers like 4,4-difluorobenzoic acid ethyl ester may also serve as viable alternatives.

What is the market or research trend for Ethyl 4-fluorobenzoate (CAS: 451-46-7)?

The market for Ethyl 4-fluorobenzoate (CAS: 451-46-7) is growing due to its use in pharmaceuticals, agriculture, and chemical intermediates. Research trends focus on its application in developing new drugs and fungicides. The increasing demand for environmentally friendly compounds and the development of sustainable processes are key drivers. However, due to its hazardous properties, there is ongoing research into safer alternatives and more efficient production methods.

How should waste containing Ethyl 4-fluorobenzoate (CAS: 451-46-7) be handled?

Waste containing Ethyl 4-fluorobenzoate (CAS: 451-46-7) should be collected in appropriate containers and stored in a well-ventilated area away from incompatible materials. Incineration is a common disposal method, but professional waste disposal services should be used for handling hazardous waste. Environmental protection measures include ensuring no spillage and following local regulations for hazardous waste management to prevent contamination of soil and water sources.