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Cas Database |
| Name |
4,7-Dichloroquinoline |
EINECS | 201-714-7 |
| CAS No. | 86-98-6 | Density | 1.407 g/cm3 |
| PSA | 12.89000 | LogP | 3.54160 |
| Solubility | insoluble in water | Melting Point |
81-83 °C(lit.) |
| Formula | C9H5Cl2N | Boiling Point | 292.9 °C at 760 mmHg |
| Molecular Weight | 198.051 | Flash Point | 158.7 °C |
| Transport Information | N/A | Appearance | white to light yellow crystal powder |
| Safety | 26-36-22 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
5-20-07-00316 (Beilstein Handbook Reference);AI3-50374;BRN 0125359;NSC 593;TL 1473;Quinoline, 4,7-dichloro-; |
Article Data | 30 |
4,7-Dichloroquinoline Synthetic route
| 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 |
4,7-Dichloroquinoline Chemical Properties
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:
.png)
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
4,7-Dichloroquinoline Uses
4,7-DICHLOROQUINOLINE(86-98-6) is used as a drug chloroquine phosphate intermediate.
4,7-Dichloroquinoline 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. |
4,7-Dichloroquinoline Consensus Reports
Reported in EPA TSCA Inventory.
4,7-Dichloroquinoline 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−.
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