| Specification: |
This chemical is called 1-Amino-4-bromo anthraquinone, and it can also be named as 9,10-Anthracenedione, 1-amino-4-bromo-. With the CAS number of 81-62-9, its systematic name is 1-amino-4-bromoanthracene-9,10-dione. In addition, the molecular formula of this chemical is C14H8NBrO2, and its molecular weight is 300.97. Moreover, the product categories of this chemical are Intermediates of Dyes and Pigments.
Other characteristics of the 1-Amino-4-bromo anthraquinone can be summarised as followings: (1)ACD/LogP: 4.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.47; (4)ACD/LogD (pH 7.4): 4.47; (5)ACD/BCF (pH 5.5): 1459.36; (6)ACD/BCF (pH 7.4): 1459.36; (7)ACD/KOC (pH 5.5): 6404.8; (8)ACD/KOC (pH 7.4): 6404.8; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 70.59 cm3; (15)Molar Volume: 177.5 cm3; (16)Polarizability: 27.98×10-24cm3; (17)Surface Tension: 70.1 dyne/cm; (18)Density: 1.701 g/cm3; (19)Flash Point: 263.6 °C; (20)Enthalpy of Vaporization: 78.34 kJ/mol; (21)Boiling Point: 512.2 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-10 mmHg at 25°C.
Preparation of this chemical: The 1-Amino-4-bromo anthraquinone can be obtained by the reactant of the Anthra[1,9-cd]isoxazol-6-one and the reagent of 42-45percent HBr. In addition, this reaction should be taken in the solvent of acetic acid, and the yeild is 80 %.
Uses of this chemical: The 1-Azido-4-bromoanthraquinone could be made by the reactant of the 1-Amino-4-bromo anthraquinone, and its yeild is 94 %.
When you are using this chemical, please be cautious about it as the following: The 1-Amino-4-bromo anthraquinone is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)c3c2c(ccc3Br)N
(2)InChI: InChI=1/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
(3)InChIKey: JOVRIPGYHSRFFR-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C14H8BrNO2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6H,16H2
(5)Std. InChIKey: JOVRIPGYHSRFFR-UHFFFAOYSA-N
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