3-Chloro-4-fluorobenzonitrile

Basic Information

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CAS Number

117482-84-5

Molecular Formula

C7H3ClFN

Molecular Weight

155.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

70.0 to 74.0 deg-C

Boiling Point

135°C/65mmHg

Flash Point

135 °C / 65mmHg

Refractive Index

1.569

SMILES

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C1=CC(=C(C=C1C#N)Cl)F

InChI

InChI=1S/C7H3ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H

InChIKey

VAHXXQJJZKBZDX-UHFFFAOYSA-N

LogP

2.35078

Complexity

162

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

3-chloro-4-fluoro benzonitrile
SCHEMBL233380
A1487
FT-0615387
DTXSID10151794
C2081
3-Chloro-4-fluorobenzo-nitrile
W-204946
AKOS005063945
AC-4044
3-chloro,4-fluorobenzonitrile
3-Chloro4-fluorobenzo-nitrile
F0001-0294
PS-8855
MFCD00015431
CS-W010922
3-Chloro-4-fluorobenzonitrile, 99%
3-Chloro-4-fluoro-benzonitrile
3-Chloro-4-fluorobenzonitrile
Z1082858332
3-chloro-4-florobenzonitrile
117482-84-5
AM20060064
EN300-67638
Benzonitrile, 3-chloro-4-fluoro-
J-200054
3-Chlor-4-fluorobenzonitrile
3-chloro-4-fluorobenzenecarbonitrile
4-fluoro-3-chlorobenzonitrile
3-chloro-4-fluorophenyl-carbonitrile
3-Chloro-4-fluorobenzonitrile99%

MDL Number

MFCD00015431

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 3-Chloro-4-fluorobenzonitrile (CAS: 117482-84-5)?

3-Chloro-4-fluorobenzonitrile (CAS: 117482-84-5) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) due to its potential toxicity and reactivity. It is also regulated under the European Union's Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific guidelines for its handling and disposal to ensure environmental safety and human health protection.

Are there alternatives to 3-Chloro-4-fluorobenzonitrile (CAS: 117482-84-5) in synthesis?

While 3-Chloro-4-fluorobenzonitrile (CAS: 117482-84-5) is a versatile intermediate for synthesizing various compounds, there are alternative reagents that can be used depending on specific requirements. For example, 2-Chloro-3-fluorobenzonitrile or 3-Chloro-4-methoxybenzonitrile can be considered based on the desired properties and reactions. However, the choice of alternative should be guided by the reaction conditions and the intended product.

What is the market or research trend for 3-Chloro-4-fluorobenzonitrile (CAS: 117482-84-5)?

The market for 3-Chloro-4-fluorobenzonitrile (CAS: 117482-84-5) is steadily growing due to its role as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and dyes. Research trends indicate increasing demand for this compound, particularly in the development of more efficient and environmentally friendly synthesis routes. Additionally, there is a growing focus on the sustainable production and disposal of this compound to meet environmental standards and regulatory requirements.

How should waste containing 3-Chloro-4-fluorobenzonitrile (CAS: 117482-84-5) be handled?

Waste containing 3-Chloro-4-fluorobenzonitrile (CAS: 117482-84-5) should be managed according to the principles of waste minimization, recycling, and disposal. Collection of the waste should be done in appropriate containers, and it should be stored in a secure, well-ventilated area away from heat and open flames. For disposal, it is recommended to incinerate the waste in a controlled incineration facility or use a professional waste disposal service. Proper personal protective equipment and safety measures should be followed to ensure the safety of workers and the environment. Compliance with local and national regulations is essential.