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CAS

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342-30-3

5-(TrifluoroMethyl)quinoline is a chemical compound belonging to the quinoline family, characterized by the presence of a trifluoromethyl group at the 5th position of the quinoline ring. This modification enhances the biological activity and metabolic stability of the parent compound, making it highly valuable in medicinal and pharmaceutical research, as well as in organic synthesis and material science due to its unique chemical properties and reactivity.

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  • 342-30-3 Structure

  • Basic information

    1. Product Name: 5-(TrifluoroMethyl)quinoline
    2. Synonyms: 5-(TrifluoroMethyl)quinoline
    3. CAS NO:342-30-3
    4. Molecular Formula: C10H6F3N
    5. Molecular Weight: 197.1565496
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 342-30-3.mol

  • Chemical Properties

    1. Melting Point: -7 °C
    2. Boiling Point: 214-215 °C(Press: 732 Torr)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.272 g/cm3(Temp: 32 °C)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 3.60±0.12(Predicted)
    10. CAS DataBase Reference: 5-(TrifluoroMethyl)quinoline(CAS DataBase Reference)
    11. NIST Chemistry Reference: 5-(TrifluoroMethyl)quinoline(342-30-3)
    12. EPA Substance Registry System: 5-(TrifluoroMethyl)quinoline(342-30-3)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 342-30-3(Hazardous Substances Data)

342-30-3 Usage

Uses

Used in Pharmaceutical Research:
5-(TrifluoroMethyl)quinoline is used as a key intermediate in drug design and discovery for the development of new therapeutic agents targeting a variety of diseases. Its enhanced biological activity and metabolic stability contribute to the creation of more effective and safer medications.
Used in Medicinal Chemistry:
5-(TrifluoroMethyl)quinoline serves as a valuable building block in medicinal chemistry, allowing researchers to synthesize novel compounds with improved pharmacological properties, such as increased potency, selectivity, and reduced side effects.
Used in Organic Synthesis:
In the field of organic synthesis, 5-(TrifluoroMethyl)quinoline is utilized as a versatile reactant and catalyst, enabling the synthesis of a wide range of complex organic molecules with potential applications in various industries.
Used in Material Science:
5-(TrifluoroMethyl)quinoline is employed in material science for the development of new materials with unique properties, such as enhanced stability, reactivity, or selectivity, which can be applied in various technological and industrial processes.

Check Digit Verification of cas no

The CAS Registry Mumber 342-30-3 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,4 and 2 respectively; the second part has 2 digits, 3 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 342-30:
(5*3)+(4*4)+(3*2)+(2*3)+(1*0)=43
43 % 10 = 3
So 342-30-3 is a valid CAS Registry Number.

342-30-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-(Trifluoromethyl)quinoline

1.2 Other means of identification

Product number -
Other names 5-trifluoromethylquinoline

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:342-30-3 SDS

342-30-3Relevant articles and documents

Deoxofluorination of (Hetero)aromatic Acids

Alekseenko, Anatoliy N.,Bugera, Maksym Ya.,Gerus, Igor I.,Kiriakov, Oleksandr,Klipkov, Anton A.,Mykhailiuk, Pavel K.,Pustovit, Yurii,Razhyk, Bohdan,Semenov, Sergey,Starova, Viktoriia S.,Tananaiko, Oksana Yu.,Tarasenko, Karen,Tolmachev, Andrei A.,Trofymchuk, Serhii,Zaporozhets, Olga A.

, p. 3110 - 3124 (2020/03/23)

Diverse trifluoromethyl-substituted compounds were synthesized by deoxofluorination of cinnamic and (hetero)aromatic carboxylic acids with sulfur tetrafluoride. The obtained products were used as starting materials in the preparation of novel fluorinated amino acids, anilines, and aliphatic amines - valuable building blocks for medicinal chemistry and agrochemistry.

The effect of photocatalyst excited state lifetime on the rate of photoredox catalysis

Ochola,Wolf

supporting information, p. 9088 - 9092 (2016/10/07)

Four different iridium(iii) polypyridyl complexes with varying excited state lifetimes are used as photocatalysts to study the effect of excited state lifetime on the rate of a prototypical photoredox-catalyzed reaction, the trifluoromethylation of quinoline. An improved mechanistic understanding of the photocatalysis is achieved, enabling guided optimization of reaction conditions and elucidating the role of the photocatalyst excited state lifetime on the rate of photocatalysis.

Trifluoromethylation of various aromatic compounds by CF3I in the presence of Fe(II) compound, H2O2 and dimethylsulfoxide

Kino, Tatsuhito,Nagase, Yu,Ohtsuka, Yuhki,Yamamoto, Kyoko,Uraguchi, Daisuke,Tokuhisa, Kenji,Yamakawa, Tetsu

experimental part, p. 98 - 105 (2010/03/03)

Trifluoromethylation of aromatic and hetero-aromatic compounds by CF3I in the presence of Fe(II) compound, H2O2 and dimethylsulfoxide was investigated. Various trifluoromethylated benzene derivatives, six-membered nitrogen-containing aromatic compounds and five-membered hetero-aromatic compounds were obtained under mild conditions. General orientation of electrophilic substitution of aromatic compounds was observed similarly as reported in other radical trifluoromethylation previously.

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