3-Ethynyl-4-fluoroaniline

Basic Information

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CAS Number

77123-60-5

Molecular Formula

C8H6FN

Molecular Weight

135.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

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

92-96 °C

Boiling Point

247 ºC

Density

1.16

Flash Point

114 ºC

SMILES

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

InChI

InChI=1S/C8H6FN/c1-2-6-5-7(10)3-4-8(6)9/h1,3-5H,10H2

InChIKey

HWMVCSBQJWRQNF-UHFFFAOYSA-N

LogP

1.97040

Complexity

158

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

77123-60-5
AC-14014
GS-4117
J-516694
3-Ethynyl-4-fluoroaniline
J-512442
SY104916
3-ETHYNYL-4-FLUOROANILINE;2-FLUORO-5-AMINOBENZONITRILE;Benzenamine, 3-ethynyl-4-fluoro- (9CI)
EN300-2978025
3-Ethynyl-4-fluoro-aniline
3-Ethynyl-4-fluorobenzenamine
AMY14041
A865357
SCHEMBL641650
FT-0660391
MFCD09029299
DTXSID30506904
HWMVCSBQJWRQNF-UHFFFAOYSA-N
AKOS006291572
2-FLUORO-5-AMINOBENZONITRILE
Benzenamine, 3-ethynyl-4-fluoro- (9CI)
3-CYANO-4-FLUORO-ANILINE
3-ethynyl-4-fluoroBenzenamine
5-AMINO-2-FLUOROBENZONITRILE
RP01053
AB0026657
Y9891
W8375
ST24022869
3-ethynyl-4-fluoro-aniline

MDL Number

MFCD09029299

FAQ

What regulatory guidelines apply to 3-Ethynyl-4-fluoroaniline (CAS: 77123-60-5)?

3-Ethynyl-4-fluoroaniline (CAS: 77123-60-5) is subject to various regulatory guidelines. It is classified under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a skin and eye irritant. It is also regulated under the EU REACH regulations for its manufacture, import, and use. Additionally, FDA and EPA have specific requirements for its handling and disposal, particularly in terms of environmental and safety measures.

Are there alternatives to 3-Ethynyl-4-fluoroaniline (CAS: 77123-60-5) in synthesis?

Several alternatives to 3-Ethynyl-4-fluoroaniline (CAS: 77123-60-5) can be used in synthesis, including 3-Ethynyl-4-chloroaniline and 3-Ethynyl-4-methylaniline. These compounds can serve as effective substitutes due to their similar functional groups and reactivity. Other alternatives might include using fluoroanilines with different substituents, depending on the specific synthetic pathway and desired properties of the final product.

What is the market or research trend for 3-Ethynyl-4-fluoroaniline (CAS: 77123-60-5)?

The market for 3-Ethynyl-4-fluoroaniline (CAS: 77123-60-5) is largely driven by its use in the pharmaceutical and agrochemical industries. Research trends are focusing on its application in the synthesis of intermediates for drugs and pesticides. Recent studies have also explored its potential in material science and as a precursor for fluorescent dyes. However, due to its specific reactivity and toxicity, its use is limited in some sectors, leading to a steady demand rather than a significant growth trend.

How should waste containing 3-Ethynyl-4-fluoroaniline (CAS: 77123-60-5) be handled?

Waste containing 3-Ethynyl-4-fluoroaniline (CAS: 77123-60-5) should be collected in appropriate containers, labeled as hazardous waste, and stored in a well-ventilated area away from heat and ignition sources. Proper incineration should be conducted under controlled conditions to ensure complete combustion. Alternatively, professional waste disposal services can manage the waste, ensuring compliance with local and national regulations. Environmental precautions include monitoring the release of any byproducts and ensuring they do not contaminate soil or water supplies.