2-Chloro-6-fluorobenzonitrile

Basic Information

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CAS Number

668-45-1

Molecular Formula

C7H3ClFN

Molecular Weight

144.58 g/mol

EINECS

211-571-2

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

Physical State

White to Light yellow

Melting Point

55-59 °C

Boiling Point

104 °C11 mm Hg

Density

1.3760 (estimate)

Water Solubility

Insoluble in water

Flash Point

104-105°C/11mm

Refractive Index

1.539

SMILES

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

InChI

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

InChIKey

XPTAYRHLHAFUOS-UHFFFAOYSA-N

LogP

2.7875200000000007

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

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

668-45-1
SCHEMBL186023
FT-0611854
2-Chloro-6-fluorobenzonitrile, 98%
NS00042351
2-Fluoro-6-chlorobenzonitrile
EINECS 211-571-2
PS-8857
Z57900338
2-chloro-6-fluoro-benzonitrile
disodium4,4-diaminostilbene-2,2-disulphonate
AC-4042
2-Chloro-6-fluorobenzonitrile, purum, >=98.0% (GC)
AKOS000120932
CS-W020582
W-104736
2-Chloro-6-fluorobenzonitrile
BCP21920
MFCD00001780
AM20040986
A8992
InChI=1/C7H3ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3
Benzonitrile, 2-chloro-6-fluoro-
DTXSID70216919
F0001-1772
2-Chloro-6-fluorobenzoic acid nitrile
EN300-18322
AKOS BBS-00006480
LABOTEST-BB LT00159627
2-CHLORO-6-FLUOROBENZONITRILE
6-Chloro-2-Fluorobenzonitrile

MDL Number

MFCD00001780

EC Number

211-571-2

Customs Code

29269095

FAQ

What regulatory guidelines apply to 2-Chloro-6-fluorobenzonitrile (CAS: 668-45-1)?

2-Chloro-6-fluorobenzonitrile (CAS: 668-45-1) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a hazardous chemical. In the European Union, it is also subject to the REACH regulation for registration, evaluation, authorization, and restriction of chemicals. Additionally, the U.S. Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) have specific guidelines and requirements for handling and disposal. Compliance with these regulations is essential to ensure safe handling and environmental protection.

Are there alternatives to 2-Chloro-6-fluorobenzonitrile (CAS: 668-45-1) in synthesis?

In the synthesis of intermediates for pharmaceuticals and agrochemicals, 2-Chloro-6-fluorobenzonitrile (CAS: 668-45-1) can be replaced by similar compounds such as 2-fluorobenzonitrile or 2-chlorobenzonitrile. These alternatives can serve as effective reagents in synthesizing similar target molecules, offering similar functional groups but with different substituents. This flexibility allows chemists to choose the most suitable reagent based on the specific requirements of the reaction.

What is the market or research trend for 2-Chloro-6-fluorobenzonitrile (CAS: 668-45-1)?

The market for 2-Chloro-6-fluorobenzonitrile (CAS: 668-45-1) is driven by its use in the pharmaceutical and agrochemical industries. Research trends are focused on exploring its applications in the development of novel drugs and pesticides. Price trends indicate a steady demand, with minor fluctuations due to supply chain factors. Emerging research fields are increasingly focusing on the synthesis of environmentally friendly compounds and the development of safer alternatives, which could impact the future demand for 2-Chloro-6-fluorobenzonitrile.

How should waste containing 2-Chloro-6-fluorobenzonitrile (CAS: 668-45-1) be handled?

Waste containing 2-Chloro-6-fluorobenzonitrile (CAS: 668-45-1) should be handled with care to ensure environmental safety. Waste collection should be done in approved containers, and the waste should be neutralized or rendered less hazardous before disposal. Incineration is a common method for disposal, but professional waste disposal services should be used to ensure compliance with local regulations. Protective measures such as gloves, masks, and eye protection should be worn during waste handling to prevent exposure. Proper labeling of waste containers and adherence to local and national waste management guidelines are essential for safe disposal.