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| CAS No.: | 723281-72-9 |
|---|---|
| Name: | 6-BROMO-4-CHLORO-3-NITROQUINOLINE |
| Article Data: | 37 |
| Molecular Structure: | |
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| Formula: | C9H4BrClN2O2 |
| Molecular Weight: | 287.5 |
| Synonyms: | 6-BROMO-4-CHLORO-3-NITROQUINOLINE; |
| Density: | 1.834 g/cm3 |
| Boiling Point: | 387.626 °C at 760 mmHg |
| Flash Point: | 188.23 °C |
| PSA: | 58.71000 |
| LogP: | 4.08210 |
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- 853908-50-6
6-bromo-3-nitroquinolin-4-ol
- 723281-72-9
6-bromo-4-chloro-3-nitroquinoline
| Conditions | Yield |
|---|---|
| With trichlorophosphate for 0.75h; Reflux; | 100% |
| With trichlorophosphate at 100℃; for 4h; | 95% |
| With trichlorophosphate at 100℃; for 3h; | 95% |
- 723281-72-9
6-bromo-4-chloro-3-nitroquinoline
| Conditions | Yield |
|---|---|
| With trichlorophosphate at 120℃; for 1h; | 53% |
- 1201643-75-5
(E)-5-bromo-2-((2-nitrovinyl)amino)benzoic acid
- 723281-72-9
6-bromo-4-chloro-3-nitroquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium acetate / acetic anhydride / 3 h / 120 °C 2: trichlorophosphate / 0.75 h / 120 °C View Scheme | |
| Multi-step reaction with 2 steps 1: potassium acetate; acetic anhydride / 2 h / 120 °C 2: trichlorophosphate; N,N-dimethyl-formamide / 4 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: acetic anhydride; potassium acetate / 2 h / 120 °C 2: trichlorophosphate / 4 h / 100 °C View Scheme |
- 853908-49-3
5-bromo-2-((2-nitroethenyl)amino)benzoic acid
- 723281-72-9
6-bromo-4-chloro-3-nitroquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: acetic anhydride; potassium acetate / 3 h / 120 °C 2: trichlorophosphate / 0.75 h / 120 °C View Scheme | |
| Multi-step reaction with 2 steps 1: acetic anhydride; sodium acetate / 2 h / 120 °C 2: trichlorophosphate / 0.75 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: potassium acetate; acetic anhydride / 1.5 h / 120 °C 2: trichlorophosphate / 0.75 h / 120 °C View Scheme |
- 5794-88-7
5-Bromo-2-aminobenzoic acid
- 723281-72-9
6-bromo-4-chloro-3-nitroquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: hydrogenchloride / water / 24 h / 20 °C 2: 24 h / 20 °C 3: acetic anhydride; sodium acetate / 2 h / 120 °C 4: trichlorophosphate / 0.75 h / Reflux View Scheme | |
| Multi-step reaction with 4 steps 1: hydrogenchloride / water / 24 h / 20 °C 2: 24 h / 20 °C 3: acetic anhydride; potassium acetate / 2 h / 120 °C 4: trichlorophosphate / 0.75 h / Reflux View Scheme | |
| Multi-step reaction with 4 steps 1: hydrogenchloride / water / 24 h / 20 °C 2: 24 h / 20 °C 3: potassium acetate; acetic anhydride / 2 h / 120 °C 4: trichlorophosphate / 0.75 h / Reflux View Scheme |
- 74189-16-5
2-amino-5-bromobenzoic acid hydrochloride
- 723281-72-9
6-bromo-4-chloro-3-nitroquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 24 h / 20 °C 2: acetic anhydride; sodium acetate / 2 h / 120 °C 3: trichlorophosphate / 0.75 h / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1: 24 h / 20 °C 2: acetic anhydride; potassium acetate / 2 h / 120 °C 3: trichlorophosphate / 0.75 h / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1: 24 h / 20 °C 2: potassium acetate; acetic anhydride / 2 h / 120 °C 3: trichlorophosphate / 0.75 h / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1: 24 h / 20 °C 2: potassium acetate; acetic anhydride / 2 h / 120 °C 3: trichlorophosphate / 0.75 h / Reflux View Scheme | |
| Multi-step reaction with 3 steps 1.1: sodium hydroxide / water / 2.17 h / 0 - 20 °C 1.2: 0 °C 1.3: 18 h / 20 °C 2.1: potassium acetate; acetic anhydride / 1.5 h / 120 °C 3.1: trichlorophosphate / 0.75 h / 120 °C View Scheme |
- 106-40-1
4-bromo-aniline
- 723281-72-9
6-bromo-4-chloro-3-nitroquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: ethanol / 0.17 h / 90 °C 1.2: 0.5 h 2.1: diphenylether / 0.08 h / 220 °C 3.1: nitric acid / propionic acid / 2 h / 125 °C 4.1: trichlorophosphate; triethylamine / 1.5 h / Reflux View Scheme | |
| Multi-step reaction with 4 steps 1: ethanol / 6 h / 105 °C 2: diphenylether / 0.25 h / 200 °C / Microwave irradiation 3: nitric acid / propionic acid / 2 h / 125 °C 4: trichlorophosphate / N,N-dimethyl-formamide / 3 h / 100 °C View Scheme |
- 1551219-53-4
C13H12BrNO4
- 723281-72-9
6-bromo-4-chloro-3-nitroquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: diphenylether / 0.08 h / 220 °C 2: nitric acid / propionic acid / 2 h / 125 °C 3: trichlorophosphate; triethylamine / 1.5 h / Reflux View Scheme |
- 145369-94-4
6-bromoquinolin-4-ol
- 723281-72-9
6-bromo-4-chloro-3-nitroquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: nitric acid / propionic acid / 2 h / 125 °C 2: trichlorophosphate; triethylamine / 1.5 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: nitric acid / propionic acid / 2 h / 125 °C 2: trichlorophosphate / N,N-dimethyl-formamide / 3 h / 100 °C View Scheme | |
| Multi-step reaction with 2 steps 1: nitric acid / propionic acid / 2 h / 125 °C 2: N,N-dimethyl-formamide; trichlorophosphate / 2 h / 110 °C View Scheme | |
| Multi-step reaction with 2 steps 1: nitric acid; propionic acid / 2 h 2: trichlorophosphate / N,N-dimethyl-formamide / 110 °C View Scheme |
- 118-92-3
anthranilic acid
- 723281-72-9
6-bromo-4-chloro-3-nitroquinoline
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: ammonium bromide; dihydrogen peroxide; acetic acid / 16 h / 10 - 20 °C 2: ethanol / 18 h / 20 °C 3: potassium acetate; acetic anhydride / 2 h / 120 °C 4: trichlorophosphate; N,N-dimethyl-formamide / 4 h / Reflux View Scheme |
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Specification
The IUPAC name of this chemical is 6-bromo-4-chloro-3-nitroquinoline. With the CAS registry number 723281-72-9, it is also named as quinoline, 6-bromo-4-chloro-3-nitro-. And its molecule fomular is C9H4BrClN2O2. In addition, this chemical is white solid which is used as intermediate. Furthermore, it must be sealed in the container and avoid direct sunshine.
The other characteristics of 6-Bromo-4-chloro-3-nitroquinoline can be summarized as: (1)ACD/LogP: 4.18; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 160; (5)ACD/BCF (pH 7.4): 160; (6)ACD/KOC (pH 5.5): 1317; (7)ACD/KOC (pH 7.4): 1317; (8)#H bond acceptors: 4; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.711; (12)Molar Refractivity: 61.317 cm3; (13)Molar Volume: 156.75 cm3; (14)Polarizability: 24.308×10-24 cm3; (15)Surface Tension: 66.19 dyne/cm; (16)Enthalpy of Vaporization: 61.182 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C; (18)Exact Mass: 285.914468; (19)MonoIsotopic Mass: 285.914468; (20)Topological Polar Surface Area: 58.7; (21)Heavy Atom Count: 15; (22)Complexity: 261.
People can use the following data to convert to the molecule structure.
1. SMILES: O=N(=O)c1cnc2ccc(Br)cc2c1Cl;
2. InChI: InChI=1/C9H4BrClN2O2/c10-5-1-2-7-6(3-5)9(11)8(4-12-7)13(14)15/h1-4H;
3. InChIKey: KHKPVEMMXJCWGP-UHFFFAOYAL.