CAS No.853908-50-6,6-Bromo-3-nitro-4-quinolinol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	853908-50-6
Name:	6-Bromo-3-nitro-4-quinolinol
Article Data:	31

Formula:	C₉H₅BrN₂O₃
Molecular Weight:	269.054
Synonyms:	6-Bromo-3-nitroquinolin-4-ol;
Density:	1.878 g/cm³
Boiling Point:	389.339 °C at 760 mmHg
Flash Point:	189.266 °C
PSA:	78.94000
LogP:	3.13430

Synthetic route

: 145369-94-4
6-bromoquinolin-4-ol

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

Conditions

Conditions	Yield
With nitric acid; propionic acid for 2h;	64.5%
With nitric acid In propionic acid at 125℃; for 2h;	50.2%
With nitric acid In propionic acid at 125℃; for 2h;	50%
With nitric acid In propionic acid at 125℃; for 2h;

: 1201643-75-5
(E)-5-bromo-2-((2-nitrovinyl)amino)benzoic acid

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

Conditions

Conditions	Yield
With potassium acetate In acetic anhydride at 120℃; for 3h;	64%
With potassium acetate In acetic anhydride at 120℃; for 1.5h;	43%
With potassium acetate; acetic anhydride at 120℃; for 2h;	38%

: 853908-49-3
5-bromo-2-((2-nitroethenyl)amino)benzoic acid

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

Conditions

Conditions	Yield
With sodium acetate; acetic anhydride at 120℃; for 2h;	60%
With potassium acetate; acetic anhydride at 120℃; for 2h;	60%
With potassium acetate; acetic anhydride at 60 - 110℃; for 4h;	56%

: 5-bromo-2-(2-nitro-ethylidenamino)-benzoic acid

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

Conditions

Conditions	Yield
With sodium acetate; acetic anhydride

: 853908-49-3
5-bromo-2-((2-nitroethenyl)amino)benzoic acid

: 108-24-7
acetic anhydride

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

Conditions

Conditions	Yield
With potassium acetate at 120℃; for 1.5h;

: 5794-88-7
5-Bromo-2-aminobenzoic acid

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

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrogenchloride / water / 24 h / 20 °C 2: 24 h / 20 °C 3: acetic anhydride; sodium acetate / 2 h / 120 °C View Scheme
Multi-step reaction with 3 steps 1: hydrogenchloride / water / 24 h / 20 °C 2: 24 h / 20 °C 3: acetic anhydride; potassium acetate / 2 h / 120 °C View Scheme
Multi-step reaction with 3 steps 1: hydrogenchloride / water / 24 h / 20 °C 2: 24 h / 20 °C 3: potassium acetate; acetic anhydride / 2 h / 120 °C View Scheme

: 74189-16-5
2-amino-5-bromobenzoic acid hydrochloride

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 24 h / 20 °C 2: acetic anhydride; sodium acetate / 2 h / 120 °C View Scheme
Multi-step reaction with 2 steps 1: 24 h / 20 °C 2: acetic anhydride; potassium acetate / 2 h / 120 °C View Scheme
Multi-step reaction with 2 steps 1: 24 h / 20 °C 2: potassium acetate; acetic anhydride / 2 h / 120 °C View Scheme
Multi-step reaction with 2 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 View Scheme

: 106-40-1
4-bromo-aniline

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

Conditions

Conditions	Yield
Multi-step reaction with 3 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 View Scheme
Multi-step reaction with 3 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 View Scheme

: 1551219-53-4
C13H12BrNO4

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diphenylether / 0.08 h / 220 °C 2: nitric acid / propionic acid / 2 h / 125 °C View Scheme

: 118-92-3
anthranilic acid

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

Conditions

Conditions	Yield
Multi-step reaction with 3 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 View Scheme

Raw Materials

108-24-7

106-40-1

Downstream Products

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Specification

This chemical is called 6-Bromo-4-hydroxy-3-nitroquinoline, and it's also named as 6-bromo-3-nitro-quinolin-4-ol. With the molecular formula of C₉H₅BrN₂O₃, its molecular weight is 269.05. The CAS registry number of this chemical is 853908-50-6.

Other characteristics of the 6-Bromo-4-hydroxy-3-nitroquinoline can be summarised as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.785; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 78.94 Å²; (11)Index of Refraction: 1.749; (12)Molar Refractivity: 58.304 cm³; (13)Molar Volume: 143.229 cm³; (14)Polarizability: 23.113×10^-24cm³; (15)Surface Tension: 78.436 dyne/cm; (16)Density: 1.878 g/cm3; (17)Flash Point: 189.266 °C; (18)Enthalpy of Vaporization: 66.363 kJ/mol; (19)Boiling Point: 389.339 °C at 760 mmHg Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1cc2c(cc1Br)c(c(cn2)N(=O)=O)O
2.InChI: InChI=1/C9H5BrN2O3/c10-5-1-2-7-6(3-5)9(13)8(4-11-7)12(14)15/h1-4H,(H,11,13)
3.InChIKey: AMKJVYOALDEARM-UHFFFAOYAW