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Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate

Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate structure

CAS No:
79660-46-1
Formula:
C12H8F3NO3
Chemical Name:
Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
Synonyms:
3-Quinolinecarboxylic acid,6,7,8-trifluoro-1,4-dihydro-4-oxo-,ethyl ester;DM 7;Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate;DM 7 (pharmaceutical)
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

beige to beige-brown powder

Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate Basic Attributes

Molecular Weight：

271.19

Exact Mass：

271.19

DSSTox ID：

DTXSID90229824

HScode：

2933499090

Characteristics

PSA：

55.4

XLogP3：

2.3

Density：

1.451

Melting Point：

279-280 °C (sublm) @ Solvent: Ethanol

Flash Point：

162ºC

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

VB2009830

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate Use and Manufacturing

Compound 2 (5.30 g, 16.70 mmol) was added to diphenyl ether (35 mL) and refluxed at 250 °C for 8 h. After the solution was cooled, the resulting precipitate was filtered off, washed with hexane and recrystallized from EtOH to give 3 as a white solid.

Computed Properties

Molecular Weight:271.19
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:271.04562760
Monoisotopic Mass:271.04562760
Topological Polar Surface Area:55.4
Heavy Atom Count:19
Complexity:426
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate

Shandong Airuike Chemical Co., Ltd. Contact Supplier

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Ethyl6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate

CAS No.: 79660-46-1

Grade: Analytical Reagent

Content: 99%

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Guide of Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
Learn More Other Chemicals

Ethyl 6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate

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