ChemicalBook--->CAS DataBase List--->86-98-6

86-98-6

86-98-6 Structure

86-98-6 Structure
IdentificationMore
[Name]

4,7-Dichloroquinoline
[CAS]

86-98-6
[Synonyms]

4,7-DICHLOROQUINOLINE
4,7-dichloro-quinolin
TL 1473
tl1473
4,7-DICHLOROQUINOLINE, 99+%
4,7-Dichloroquinoline,97%
4,7-DICHLOLROQUINOLINE
4,7-DICHLOROQUINOLINE CHLOROQUINE PHOSPHATE
[EINECS(EC#)]

201-714-7
[Molecular Formula]

C9H5Cl2N
[MDL Number]

MFCD00006774
[Molecular Weight]

198.05
[MOL File]

86-98-6.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

81-83 °C (lit.)
[Boiling point ]

298.4 °F (148°C)
[density ]

1.4178 (rough estimate)
[vapor pressure ]

0.103Pa at 25℃
[refractive index ]

1.6300 (estimate)
[Fp ]

164 °C
[storage temp. ]

2-30°C
[solubility ]

chloroform: soluble50mg/mL, clear, colorless to greenish-yellow
[form ]

Powder
[pka]

1.99±0.27(Predicted)
[color ]

White to pale brown
[PH]

3.86 (24.9°C)
[biological source]

synthetic
[Water Solubility ]

insoluble
[BRN ]

125359
[Henry's Law Constant]

2.6×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
[InChI]

1S/C9H5Cl2N/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
[InChIKey]

HXEWMTXDBOQQKO-UHFFFAOYSA-N
[SMILES]

Clc1ccc2c(Cl)ccnc2c1
[LogP]

3.193 at 25℃
[CAS DataBase Reference]

86-98-6(CAS DataBase Reference)
[NIST Chemistry Reference]

Quinoline, 4,7-dichloro-(86-98-6)
[EPA Substance Registry System]

86-98-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H315-H317-H319-H411
[Precautionary statements ]

P261-P264-P273-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S22:Do not breathe dust .
[WGK Germany ]

3
[RTECS ]

VB4200000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29334910
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

7-Chloroquinolin-4-ol
[Preparation Products]

4-Bromo-7-chloroquinoline-->7-Chloro-4-piperazinoquinoline-->Hydroxychloroquine-->Chloroquine-->7-chloroquinoline-4-carboxylic acid-->4-Methoxyquinoline-->Desethyl hydroxy chloroquine-->N-(7-Chloro-4-quinolinyl)-N'-[2-[(7-chloro-4-quinolinyl)aMino]ethyl]-1,2-ethanediaMine-->Quinoline, 3,4,7-trichloro--->4-Chloro-5,6,7,8-tetrahydroquinoline-->4,7,8-Trichloroquinoline-->Amodiaquine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4,7-Dichloroquinoline(86-98-6).msds
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

4,7-Dichloroquinoline is used in the synthesis of hybrid aminoquinoline-triazine derivatives that show anti-microbial activity. In addition, it is used in the synthesis of novel oxazolidinones as anti -microbial agents showing efficacy against common bacterial strains. Chloroquinoline impurity.
[General Description]

Chloroquine Related Compound A is an impurity of chloroquine, which is a 9-aminoquinoline drug that effectively inhibits viral infections in humans.
[Flammability and Explosibility]

Notclassified
[Synthesis]

4,7-Dichloroquinoline is obtained by chlorination of 7-chloro-4-hydroxyquinoline.
[Purification Methods]

Crystallise the dichloroquinoline from MeOH or 95% EtOH. [Beilstein 20/7 V 316.]
Spectrum DetailBack Directory
[Spectrum Detail]

4,7-Dichloroquinoline(86-98-6)MS
4,7-Dichloroquinoline(86-98-6)1HNMR
4,7-Dichloroquinoline(86-98-6)13CNMR
4,7-Dichloroquinoline(86-98-6)IR1
4,7-Dichloroquinoline(86-98-6)IR2
4,7-Dichloroquinoline(86-98-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4,7-Dichloroquinoline, 99+%(86-98-6)
[Alfa Aesar]

4,7-Dichloroquinoline, 98%(86-98-6)
[Sigma Aldrich]

86-98-6(sigmaaldrich)
[TCI AMERICA]

4,7-Dichloroquinoline,>98.0%(GC)(86-98-6)
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