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CAS No.: | 116-82-5 |
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Name: | 1-Amino-2-bromo-4-hydroxy-9,10-anthraquinone |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C14H8BrNO3 |
Molecular Weight: | 318.126 |
Synonyms: | 1-Amino-2-bromo-4-hydroxy-9,10-anthraquinone;1-Amino-2-bromo-4-hydroxyanthraquinone; |
EINECS: | 204-160-4 |
Density: | 1.807 g/cm3 |
Melting Point: | 138°C (dec.)(lit.) |
Boiling Point: | 547.7 °C at 760 mmHg |
Flash Point: | 285 °C |
Appearance: | white powder |
Hazard Symbols: | C |
Risk Codes: | R34 |
PSA: | 80.39000 |
LogP: | 3.09350 |
Conditions | Yield |
---|---|
With bromine at 50 - 60℃; Bio-ionic liquid; | 92% |
With bromine; acetic acid | |
With bromine In nitrobenzene at 100 - 130℃; for 4h; Inert atmosphere; | 33.9 g |
Conditions | Yield |
---|---|
With bromine; boric acid In water | 89.5% |
With sulfuric acid; bromine; boric acid In ice-water | |
With sulfuric acid; bromine; boric acid; acetic acid In water |
1-amino-2-bromo-4-phenoxy-9,10-antraquinone
1-amino-2-bromo-4-hydroxyanthraquinone
Conditions | Yield |
---|---|
With sulfuric acid; boric acid at 80 - 100℃; for 1.5h; | 85% |
3-bromo-5-hydroxyanthra<1,9-cd>isoxazol-6-one
1-amino-2-bromo-4-hydroxyanthraquinone
Conditions | Yield |
---|---|
With sulfuric acid at 100 - 110℃; for 0.25h; | 74% |
1-azido-4-bromoanthraquinone
1-amino-2-bromo-4-hydroxyanthraquinone
Conditions | Yield |
---|---|
With sulfuric acid at 60 - 70℃; for 0.5h; | 71% |
5-bromo-6-oxo-6H-anthra<1,9-cd>isoxazole
1-amino-2-bromo-4-hydroxyanthraquinone
Conditions | Yield |
---|---|
With sulfuric acid at 100 - 110℃; for 0.5h; | 68% |
With sulfuric acid at 110℃; Kinetics; various concentrations of H2SO4; |
Conditions | Yield |
---|---|
With sulfuric acid; boric acid | |
With sulfuric acid at 30 - 40℃; | |
With sulfuric acid at 100 - 110℃; |
Conditions | Yield |
---|---|
With bromine; acetic acid |
1-amino-2, 4-dibromoanthraquinone
sulfuric acid
1-amino-2-bromo-4-hydroxyanthraquinone
Conditions | Yield |
---|---|
at 100 - 110℃; | |
at 30 - 40℃; |
3,5-dibromo-6-oxo-6H-anthra<1,9-cd>isoxazole
1-amino-2-bromo-4-hydroxyanthraquinone
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 71 percent / dioxane / 0.5 h / 20 - 25 °C 2: 80 percent / H2 / 0.2percent Pd/C / ethanol / 24 h / 40 - 50 °C / 760 Torr 3: 85 percent / 80percent H2SO4, H3BO3 / 1.5 h / 80 - 100 °C View Scheme |
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The Disperse Violet 17, with the CAS registry number 12217-92-4, is also known as 1-Amino-2-bromo-4-hydroxy-9,10-anthraquinone. It belongs to the product category of Intermediates of Dyes and Pigments. Its EINECS registry number is 204-160-4. This chemical's molecular formula is C14H8BrNO3 and molecular weight is 318.13. Its IUPAC name is called 1-amino-2-bromo-4-hydroxyanthracene-9,10-dione. This chemical's classification code is Skin / Eye Irritant.
Physical properties of Disperse Violet 17: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.04; (4)ACD/LogD (pH 7.4): 4.07; (5)ACD/BCF (pH 5.5): 3879.84; (6)ACD/BCF (pH 7.4): 412.36; (7)ACD/KOC (pH 5.5): 12484.42; (8)ACD/KOC (pH 7.4): 1326.87; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.76; (13)Molar Refractivity: 72.47 cm3; (14)Molar Volume: 175.9 cm3; (15)Surface Tension: 81.7 dyne/cm; (16)Density: 1.807 g/cm3; (17)Flash Point: 285 °C; (18)Enthalpy of Vaporization: 85.8 kJ/mol; (19)Boiling Point: 547.7 °C at 760 mmHg; (20)Vapour Pressure: 1.32E-12 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-amino-2-bromo-4-phenoxy-anthraquinone. This reaction will need reagent 80percent H2SO4, H3BO3. The reaction time is 1.5 hours with reaction temperature of 80 - 100 ℃. The yield is about 85%.
Uses of Disperse Violet 17: it can be used to produce 1-amino-2-bromo-4-methoxyanthraquinone at temperature of 40 °C. This reaction will need reagent K2CO3 and solvent dimethylformamide with reaction time of 14 hours. The yield is about 96%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)Br)N
(2)InChI: InChI=1S/C14H8BrNO3/c15-8-5-9(17)10-11(12(8)16)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2
(3)InChIKey: MSSQDESMUMSQEN-UHFFFAOYSA-N