ChemicalBook--->CAS DataBase List--->346-55-4

346-55-4

346-55-4 Structure

346-55-4 Structure
IdentificationMore
[Name]

4-Chloro-7-(trifluoromethyl)quinoline
[CAS]

346-55-4
[Synonyms]

4-CHLORO-7-(TRIFLUOROMETHYL)QUINOLINE
BUTTPARK 15\09-27
Quinoline, 4-chloro-7-(trifluoromethyl)-
4-CHLORO-7-(TRIFLUOROMETHYL)QUINOLINE, 9 8%
4-Chloro-7-(trifluoromethyl)quinoline 98%
[EINECS(EC#)]

206-471-0
[Molecular Formula]

C10H5ClF3N
[MDL Number]

MFCD00006775
[Molecular Weight]

231.6
[MOL File]

346-55-4.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

69-71 °C(lit.)
[Boiling point ]

265.5±35.0 °C(Predicted)
[density ]

1.4120 (estimate)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

chloroform: soluble25mg/mL, clear, colorless
[form ]

Solid
[pka]

1.18±0.27(Predicted)
[color ]

Light Beige to Beige
[InChI]

1S/C10H5ClF3N/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-5H
[InChIKey]

LLRQVSZVVAKRJA-UHFFFAOYSA-N
[SMILES]

FC(F)(F)c1ccc2c(Cl)ccnc2c1
[CAS DataBase Reference]

346-55-4(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Chloro-7-(trifluoromethyl)quinoline(346-55-4)
Questions And AnswerBack Directory
[Synthesis]

Starting with readily available 3-trifluoromethoxynitrobenzene, the target product 4-chloro-7-trifluoromethylquinoline was obtained through a six-step reaction involving O-alkylation, reduction, high-temperature cyclization, hydrolysis, decarboxylation, and chlorination. The synthetic reaction formula is shown in the figure below:

Synthesis of 346-55-4

Safety DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2933499090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Phosphorus oxitrichloride-->Triethyl orthoformate-->Diethyl malonate-->Diphenyl ether-->3-Aminobenzotrifluoride
[Preparation Products]

(Quinolin-7-yl)methanamin hydrochloride-->methyl 4-chloroquinoline-7-carboxylate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Chloro-7-(trifluoromethyl)quinoline(346-55-4).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

4-Chloro-7-(trifluoromethyl)quinoline is a reagent in the preparation of piperazinylquinolines as breast cancer inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-7-(trifluoromethyl)quinoline(346-55-4)MS
4-Chloro-7-(trifluoromethyl)quinoline(346-55-4)1HNMR
4-Chloro-7-(trifluoromethyl)quinoline(346-55-4)13CNMR
4-Chloro-7-(trifluoromethyl)quinoline(346-55-4)IR1
4-Chloro-7-(trifluoromethyl)quinoline(346-55-4)IR2
4-Chloro-7-(trifluoromethyl)quinoline(346-55-4)IR3
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chloro-7-(trifluoromethyl)quinoline, 98%(346-55-4)
[Sigma Aldrich]

346-55-4(sigmaaldrich)
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