2,4-Difluoro-1-isocyanatobenzene

Basic Information

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CAS Number

59025-55-7

Molecular Formula

C7H3F2NO

Molecular Weight

155.1 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

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

No data available

Boiling Point

50°C/12mmHg

Density

1.309 g/mL at 25 °C

Refractive Index

n20/D 1.490(lit.)

SMILES

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C1=CC(=C(C=C1F)F)N=C=O

InChI

InChI=1S/C7H3F2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H

InChIKey

HNENEALJPWJWJY-UHFFFAOYSA-N

LogP

1.9321000000000002

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

179

Safety Information

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GHS Hazard Pictograms

H226

H302

H312

H315

H319

H332

H334

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

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

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive/Lachrymatory

Synonyms & References

English

AC-9799
2,4-Difluoro-1-isocyanatobenzene
2,4-diflourophenyl isocyanate
2,4-Di fluorophenyl isocyanate
DTXSID40343928
D3086
AB00185
2,4-difluoro-1-isocyanato benzene
MFCD00001997
1-isocyanato-2,4-difluorobenzene
2,4-difluorophenyl-isocyanate
2,4-di-fluorophenylisocyanate
AKOS000120723
Benzene, 2,4-difluoro-1-isocyanato-
Isocyanic Acid 2,4-Difluorophenyl Ester
59025-55-7
2,4-Difluorophenyl isocyanate, 99%
PS-10291
SCHEMBL76596
EN300-20921
2,4-Difluorophenylisocyanate
2,4-difluoro-1-isocyanato-benzene
A21650
2,4-Difluorophenyl isocyanate
2,4 difluorophenyl isocyanate
2,4-Difluoro-1-isocyanatobenzene #
FT-0610102
Benzene, 2,4-difluoro-1-isocyanato- (9CI);Isocyanic Acid 2,4-Difluorophenyl Ester
2,4-diflurophenylisocyanate
2,4-difluoro phenyl isocyanate
2,4-difluoro-1-isocyanatobenzene

MDL Number

MFCD00001997

Customs Code

2929109000

FAQ

What are the physical and chemical properties of 2,4-Difluoro-1-isocyanatobenzene (CAS: 59025-55-7)?

2,4-Difluoro-1-isocyanatobenzene is a crystalline solid at room temperature with a molecular weight of approximately 207.04 g/mol. It has a low solubility in water but is more soluble in organic solvents such as acetone and dichloromethane. It is an isocyanate, which makes it highly reactive, particularly towards nucleophiles. It is also sensitive to moisture and can undergo hydrolysis to form isocyanic acid.

How is 2,4-Difluoro-1-isocyanatobenzene (CAS: 59025-55-7) typically synthesized?

2,4-Difluoro-1-isocyanatobenzene is typically synthesized by treating 2,4-difluorophenol with phosgene in the presence of a base such as pyridine. The reaction proceeds through the formation of a chlorophenyl isocyanate intermediate before the final product is obtained. The use of anhydrous conditions and a suitable catalyst enhances selectivity and yield.

What industries use 2,4-Difluoro-1-isocyanatobenzene (CAS: 59025-55-7)?

2,4-Difluoro-1-isocyanatobenzene is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those involving isocyanate functionalities. It also finds applications in the polymer industry for the development of special coatings and adhesives. Additionally, it is used in sensor technology for specific chemical detection and in semiconductor manufacturing for certain etching processes.

What precautions should be taken when handling 2,4-Difluoro-1-isocyanatobenzene (CAS: 59025-55-7)?

Handling 2,4-Difluoro-1-isocyanatobenzene requires strict safety measures. It should be done in a well-ventilated area or fume hood due to its volatility and reactivity. Personal protective equipment such as gloves, goggles, and a respirator is essential. Spills should be handled with appropriate absorbent materials and the area should be flushed with water. A Material Safety Data Sheet (MSDS) should be consulted for detailed safety information and emergency procedures.