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1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | CAS No. 94695-52-0

1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Basic Information

Chemical_Structure_Of
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CAS Number

94695-52-0

Molecular Formula

C13H8F3NO3

Molecular Weight

283.2 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

231-232 ºC

Density

1.697

SMILES

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C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)F)F)C(=O)O

InChI

InChI=1S/C13H8F3NO3/c14-8-3-6-11(10(16)9(8)15)17(5-1-2-5)4-7(12(6)18)13(19)20/h3-5H,1-2H2,(H,19,20)

InChIKey

NMASXYCNDJMMFR-UHFFFAOYSA-N

LogP

2.4519

Topological Polar Surface Area

59.3 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

491

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
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

  • 3-Quinolinecarboxylicacid, 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-
  • 1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid
  • 1-CYCLOPROPYL-6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXO-3-QUINOLINECARBOXYLIC ACID,YELLOW SOLID
  • 1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoq
  • 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  • 1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
  • Tri-FQA
  • NMASXYCNDJMMFR-UHFFFAOYSA-N
  • 1-CYCLOPROPYL-6,7,8-TRIFLUORO-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID
  • Oprea1_560856
  • STL556654
  • BBL102846
  • 1-Cyclopropyl
  • 1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid (ACI)
  • 1-Cyclopropyl-1,4-dihydro-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
  • 1-Cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
  • 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinolin-3-carboxylic acid
  • 1-Cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid
  • 1-cyclopropyl-1,4-dihydro-4-oxo-6,7,8-trifluoroquinoline-3-carboxylic acid
  • SY105842
  • 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid
  • SR-01000220575-1
  • SCHEMBL500719
  • 1-cyclopropyl-6,7,8-trifluoro-1, 4-dihydro-4-oxo-quinoline-3-carboxylic acid
  • 1-cyclopropyl-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid
  • 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylicacid
  • 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4- oxoquinoline-3-carboxylic acid
  • 1-Cyclopropyl-6 pound not7 pound not8-trifluoro-4-oxo-1 pound not4-dihydroquinoline-3-carboxylic acid
  • 1-cyclopropyl-1,4-dihydro-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid
  • SR-01000220575
  • DB-363543

MDL Number

MFCD01173812

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS: 94695-52-0)?
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is typically available as a white crystalline powder with a molecular weight of approximately 313.09 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, showing limited reactivity towards basic conditions. It is stable under normal storage conditions but should be protected from strong oxidizing agents and moisture.

How is 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS: 94695-52-0) typically synthesized?
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is synthesized via a multistep process involving the alkylation of 6,7,8-trifluoroquinoline with cyclopropyl chloride, followed by subsequent reactions to introduce the oxo and carboxylic acid functionalities. Common methods include the use of triethylamine as a base and chlorotriphenylphosphine as a catalyst. The overall yield can range from 50% to 70%, depending on the purity of starting materials and reaction conditions.

What industries use 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS: 94695-52-0)?
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is primarily used in the pharmaceutical industry as a building block for drug synthesis. It can also find applications in the production of organic semiconductors and sensors due to its electronic and chemical properties. While less common, it may occasionally be used in polymer chemistry for specific functionalization purposes.

What precautions should be taken when handling 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS: 94695-52-0)?
When handling 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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Hubei Rike Chemical Co., Ltd.

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AiLan （ ShangHai ） HuaGongKeJiYouXianGongSi （3A HuaXue ）

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1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid — JiangSuAiKangShengWuYiYaoYanFa Co Ltd

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Shanghai Tengzhun BioScience Co., Ltd.

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1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid — Jin Jinle (Hunan) Chemical Co., Ltd.

Jin Jinle (Hunan) Chemical Co., Ltd.

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1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid — HePeng （ ShangHai ） Biotechnology Co Ltd

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