4-Fluoro-2-methylaniline

Basic Information

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CAS Number

452-71-1

Molecular Formula

C7H8FN

Molecular Weight

125.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

14.2°C

Boiling Point

90-92 °C/16 mmHg

Refractive Index

n20/D 1.537(lit.)

SMILES

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CC1=C(C=CC(=C1)F)N

InChI

InChI=1S/C7H8FN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3

InChIKey

KMHLGVTVACLEJE-UHFFFAOYSA-N

LogP

1.7163199999999998

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

94.9

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

4-Fluoro-2-methylaniline
4-fluoro-2-toluidine
4-fluoro-2-methyl-aniline
CS-W011173
NCIOpen2_001405
EINECS 207-208-2
4-fluor-2-methylaniline
4-fluoro-2-methyl-benzenamine
AC-3690
4-Fluoro-o-toluidine
F0398
2-Methyl-4-fluoroaniline
AM61546
SCHEMBL102467
BCP24546
4-fluoro-2-methylphenylamine
4-Fluoro-2-methylaniline, 96%
FT-0618546
4-fluoro-2-methyl aniline
4-Fluorotoluidine
A1708
NSC 88300
NSC88300
Benzenamine, 4-fluoro-2-methyl-
BRN 1931798
P7D3BF9SJM
NSC-88300
MFCD00007832
4-Fluoro-2-methylbenzenamine
452-71-1
4-12-00-01786 (Beilstein Handbook Reference)

MDL Number

MFCD00007832

FAQ

What are the physical and chemical properties of 4-Fluoro-2-methylaniline (CAS: 452-71-1)?

4-Fluoro-2-methylaniline (CAS: 452-71-1) is a white crystalline solid with a molecular weight of 141.03 g/mol. It has a solubility of about 6 g/L in water and is slightly soluble in ethanol. This compound reacts readily with bases and is moderately reactive. It is used in various chemical syntheses and as a starting material in the pharmaceutical industry.

How is 4-Fluoro-2-methylaniline (CAS: 452-71-1) typically synthesized?

4-Fluoro-2-methylaniline (CAS: 452-71-1) is typically synthesized by the reaction of 2-methylaniline with hydrogen fluoride. This process involves the nucleophilic substitution of the amino group by a fluoride ion. The reaction is carried out at low temperatures, and the product is isolated by recrystallization. This method provides a yield of up to 85%.

What industries use 4-Fluoro-2-methylaniline (CAS: 452-71-1)?

4-Fluoro-2-methylaniline (CAS: 452-71-1) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various drugs. It is also utilized in the production of dyes and as a reagent in analytical chemistry for the detection of certain compounds. Its properties make it suitable for applications in polymer chemistry and semiconductor manufacturing.

What precautions should be taken when handling 4-Fluoro-2-methylaniline (CAS: 452-71-1)?

When handling 4-Fluoro-2-methylaniline (CAS: 452-71-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. This compound is corrosive and can cause skin irritation. Work should be performed in a fume hood to minimize exposure. In case of spill, avoid direct contact and use appropriate spill cleanup procedures as outlined in the safety data sheet (SDS).