Methyl 4-fluorobenzoate

Basic Information

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CAS Number

403-33-8

Molecular Formula

C8H7FO2

Molecular Weight

154.14 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

Boiling Point

197°C

Refractive Index

n20/D 1.494(lit.)

SMILES

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

InChI

InChI=1S/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

InChIKey

MSEBQGULDWDIRW-UHFFFAOYSA-N

LogP

1.6122999999999998

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

139

Safety Information

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GHS Hazard Pictograms

H302

H315

H318

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
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

4-Fluorobenzoic Acid Methyl Ester
NSC102770
SCHEMBL63811
Methyl 4-fluorobenzoate
AB9709
NSC 102770
AKOS000295905
NSC-102770
PS-8880
METHYL4-FLUOROBENZOATE
EINECS 206-956-7
W-106363
Benzoic acid, p-fluoro-, methyl ester
AM61512
Methyl 4-Fluorobenzoic Acid
Methyl 4-fluorobenzoate, 98%
MFCD00017959
DTXSID40193309
4-Fluorobenzoic acid, methyl ester
Benzoicacid, 4-fluoro-, methyl ester, radical ion(1+) (9CI)
InChI=1/C8H7FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H
Methyl p-fluorobenzoate
CS-W007781
EN300-97866
p-Fluorobenzoic acid, methyl ester
898598-33-9
4Fluoro Metyl Benzoate
Benzoic acid, 4-fluoro-, methyl ester
403-33-8
NS00030761
F0403

MDL Number

MFCD00017959

Customs Code

2916399090

FAQ

What is Methyl 4-fluorobenzoate (CAS: 403-33-8)?

Methyl 4-fluorobenzoate is an organic compound with the chemical formula C8H7FO2. It is a methyl ester of 4-fluorobenzoic acid and is known for its aromatic structure and fluorine substitution. This compound is commonly used in various chemical applications due to its stability and reactivity in organic synthesis.

What are the main uses of Methyl 4-fluorobenzoate (CAS: 403-33-8)?

Methyl 4-fluorobenzoate is widely utilized in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of agrochemicals, dyes, and specialty chemicals. Additionally, it serves as an intermediate in organic chemistry and is used in some food industry processes for flavoring or fragrance applications.

Is Methyl 4-fluorobenzoate (CAS: 403-33-8) safe?

Methyl 4-fluorobenzoate is generally considered safe when handled properly. However, it should be treated with care as it can cause skin and eye irritation. Safety data sheets recommend using appropriate personal protective equipment (PPE) such as gloves and goggles. It is important to follow standard chemical safety protocols to ensure safe handling and storage.

How should Methyl 4-fluorobenzoate (CAS: 403-33-8) be stored?

Methyl 4-fluorobenzoate should be stored in a cool, dry, and well-ventilated area, away from direct light. It is stable under normal storage conditions but should be kept in a sealed container to prevent moisture ingress. Proper storage helps maintain its chemical integrity and ensures safe handling in laboratories and industrial settings.