CAS No.723281-72-9,6-BROMO-4-CHLORO-3-NITROQUINOLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	723281-72-9
Name:	6-BROMO-4-CHLORO-3-NITROQUINOLINE
Article Data:	37

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

Synthetic route

: 853908-50-6
6-bromo-3-nitroquinolin-4-ol

: 723281-72-9
6-bromo-4-chloro-3-nitroquinoline

Conditions

Conditions	Yield
With trichlorophosphate for 0.75h; Reflux;	100%
With trichlorophosphate at 100℃; for 4h;	95%
With trichlorophosphate at 100℃; for 3h;	95%

: C10H6BrNO3

: 723281-72-9
6-bromo-4-chloro-3-nitroquinoline

Conditions

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

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

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

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

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

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

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

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

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.