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4-CHLORO-6-IODOQUINOLINE

4-CHLORO-6-IODOQUINOLINE structure

CAS No:
40107-07-1
Formula:
C9H5ClIN
Chemical Name:
4-CHLORO-6-IODOQUINOLINE
Synonyms:
4-Chloro-6-iodoquinoline;4-chloro-6-iodo-quinoline;Quinoline, 4-chloro-6-iodo-;PubChem14688;6-iodo-4-chloroquinoline;SCHEMBL599869;CTK1D4886;KS-00000KKN;DTXSID20457719;5329AB
Categories:
Organic Chemistry > Heterocyclic Ring

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4-CHLORO-6-IODOQUINOLINE Basic Attributes

Molecular Weight：

289.5

Exact Mass：

288.915497

DSSTox ID：

DTXSID20457719

HScode：

2933499090

Characteristics

PSA：

12.9

XLogP3：

3.5

Density：

1.9±0.1 g/cm3

Melting Point：

138-140ºC

Boiling Point：

338.4°C at 760 mmHg

Flash Point：

158.4±22.3 °C

Refractive Index：

1.727

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-CHLORO-6-IODOQUINOLINE Use and Manufacturing

6-Iodo-4-quinolinol (100 g, 369 mmol) was suspended in POCl4-Hydroxy-6-iodoquinoline (100 g, 369 mmol) was suspended in POClCompound 21-F (4.5 g) was dissolved in 50 mi of POCI3. The solution was heated to reflux for 2 hours. The excess amount of POCI3 was removed by evaporation under vacuum. The residue was neutralized with NH40H to pH-7 and extracted with EtOAc. The organic layer was concentrated and purified by chromatography on a silica gel column using hexane/ethylacetate (3: 1) to give 7.1 g (66percent yield) of 4-chloro-6-iodoquinoline 21-G as a yellow solid.Intermediate 37 (4.9 g, 15.5 mmol) was combined with phosphorus oxychloride (14 mL, 15.5 mmol) and heated at 110° C. for 1 hour. The volatiles were removed in vacuo and the residue was treated with the biphasic mixture of saturated aqueous NaHCO3 and ethyl acetate. The layers were separated and the aqueous phase was extracted with ethyl acetate. The organic layers were combined, dried over solid Na

Computed Properties

Molecular Weight:289.50
XLogP3:3.5
Hydrogen Bond Acceptor Count:1
Exact Mass:288.91552
Monoisotopic Mass:288.91552
Topological Polar Surface Area:12.9
Heavy Atom Count:12
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-CHLORO-6-IODOQUINOLINE

Shaanxi Dideu Medichem Co. Ltd Contact Supplier

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4-CHLORO-6-IODOQUINOLINE

CAS No.: 40107-07-1

Grade: Industrial Grade

Content: 99%

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