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| CAS No.: | 86-98-6 |
|---|---|
| Name: | 4,7-Dichloroquinoline |
| Molecular Structure: | |
|
|
|
| Formula: | C9H5Cl2N |
| Molecular Weight: | 198.051 |
| Synonyms: | 5-20-07-00316 (Beilstein Handbook Reference);AI3-50374;BRN 0125359;NSC 593;TL 1473;Quinoline, 4,7-dichloro-; |
| EINECS: | 201-714-7 |
| Density: | 1.407 g/cm3 |
| Melting Point: | 81-83 °C(lit.) |
| Boiling Point: | 292.9 °C at 760 mmHg |
| Flash Point: | 158.7 °C |
| Solubility: | insoluble in water |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-22 |
| PSA: | 12.89000 |
| LogP: | 3.54160 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
| Conditions | Yield |
|---|---|
| With trichlorophosphate for 1h; Heating; | 94% |
| With trichlorophosphate Reflux; | 89.5% |
| With trichlorophosphate for 2h; Heating / reflux; | 88.5% |
- 23833-97-8
7-chloro-4(1H)-oxoquinoline
- 86-98-6
4,7-dichloroquinoline
| Conditions | Yield |
|---|---|
| With trichlorophosphate for 2h; Reflux; | 85% |
| With trichlorophosphate for 2h; Reflux; | 85% |
| With ((1,3,5-triazine-2,4,6-triyl)tris(oxy))tris(triphenylphosphonium) chloride at 140 - 150℃; for 2h; Solvent; Ionic liquid; | |
| With trichlorophosphate Reflux; |
- 391-83-3, 183057-60-5
7-fluoro-1,4-dihydroquinolin-4-one
- 86-98-6
4,7-dichloroquinoline
| Conditions | Yield |
|---|---|
| With trichlorophosphate for 1h; Reflux; | 85% |
| Conditions | Yield |
|---|---|
| With Eosin Y; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate In acetonitrile at 20℃; for 1h; Inert atmosphere; Irradiation; chemoselective reaction; | 78% |
| With tris(bipyridine)ruthenium(II) dichloride hexahydrate; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate In acetonitrile at 20℃; for 0.0833333h; Inert atmosphere; Irradiation; chemoselective reaction; | 73% |
- 86-98-6
4,7-dichloroquinoline
| Conditions | Yield |
|---|---|
| With iron oxide surrounded by nitrogen doped graphene shell immobilized on carbon support In n-heptane at 100℃; under 11251.1 Torr; for 12h; Autoclave; | 62% |
- 1134937-73-7
7-chloro-4-quinolinesulfonyl chloride
A
- 86-98-6
4,7-dichloroquinoline
B
- 1134937-74-8
7-chloro-4-quinolinesulfonamide
| Conditions | Yield |
|---|---|
| With ammonia In water at 20℃; | A 31% B 56% |
- 25063-49-4
5-[(3-chloro-phenylamino)-methylene]-2,2-dimethyl-[1,3]dioxane-4,6-dione
- 86-98-6
4,7-dichloroquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: diphenyl ether / 0.08 h / 300 °C / microwave irradiation 2: POCl3 / 3 h / Heating View Scheme |
- 39061-72-8
2-acetyl-5-chloroaniline
- 86-98-6
4,7-dichloroquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1: 75 percent / pyridine / CH2Cl2 / 1 h / 20 °C 2: 95 percent / K2CO3 / dimethylformamide / 1 h / 80 °C 3: 98 percent / NaI; Et3N / acetonitrile / 1 h / Heating 4: 95 percent / Cl2Ru(PCy3)(=CHPh)(N,N'-(Mes)2-imidazolidin-2-yl) / CH2Cl2 / 1 h / 50 °C 5: 81 percent / aq. NaOH / methanol / Heating 6: 94 percent / POCl3 / 1 h / Heating View Scheme |
- 675578-62-8
N-(2-acetyl-5-chlorophenyl)-4-methylbenzenesulfonamide
- 86-98-6
4,7-dichloroquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: 95 percent / K2CO3 / dimethylformamide / 1 h / 80 °C 2: 98 percent / NaI; Et3N / acetonitrile / 1 h / Heating 3: 95 percent / Cl2Ru(PCy3)(=CHPh)(N,N'-(Mes)2-imidazolidin-2-yl) / CH2Cl2 / 1 h / 50 °C 4: 81 percent / aq. NaOH / methanol / Heating 5: 94 percent / POCl3 / 1 h / Heating View Scheme |
- 675578-63-9
N-allyl-N-p-toluenesulfonyl-2-acetyl-5-chloroaniline
- 86-98-6
4,7-dichloroquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 98 percent / NaI; Et3N / acetonitrile / 1 h / Heating 2: 95 percent / Cl2Ru(PCy3)(=CHPh)(N,N'-(Mes)2-imidazolidin-2-yl) / CH2Cl2 / 1 h / 50 °C 3: 81 percent / aq. NaOH / methanol / Heating 4: 94 percent / POCl3 / 1 h / Heating View Scheme |
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Chemistry
IUPAC Name: 4,7-Dichloroquinoline
Synonyms of 4,7-Dichloroquinoline (CAS NO.86-98-6): 5-20-07-00316 (Beilstein Handbook Reference) ; AI3-50374 ; BRN 0125359 ; EINECS 201-714-7 ; NSC 593 ; TL 1473 ; Quinoline, 4,7-dichloro-
CAS NO: 86-98-6
Classification Code: Mutation data
Molecular Formula of 4,7-Dichloroquinoline (CAS NO.86-98-6): C9H5Cl2N
Molecular Weight: 198.0487
Molecular Structure:
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Melting Point: 81-83 °C
Polar Surface Area: 12.89 Å2
Index of Refraction: 1.66
Molar Refractivity: 51.97 cm3
Molar Volume: 140.6 cm3
Surface Tension: 51.5 dyne/cm
Density of 4,7-Dichloroquinoline (CAS NO.86-98-6): 1.407 g/cm3
Flash Point: 158.7 °C
Enthalpy of Vaporization: 51.11 kJ/mol
Boiling Point: 292.9 °C at 760 mmHg
Vapour Pressure: 0.00313 mmHg at 25°C
Uses
4,7-DICHLOROQUINOLINE(86-98-6) is used as a drug chloroquine phosphate intermediate.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | subcutaneous | 80mg/kg (80mg/kg) | National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. 30101, Pg. 8, 1945. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-22
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
HS Code: 29334910
Poison by subcutaneous route. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and Cl−.