9,10-Anthracenedione,4-amino-2-bromo-1-hydroxy- supplier

Name
1-AMINO-2-BROMO-4-HYDROXY ANTHRAQUINONE
EINECS
CAS No. 3251-92-1
Density 1.81 g/cm³
Solubility
Melting Point 277-279 °C
Formula C₁₄H₈BrNO₃
Boiling Point 547.7 °C at 760 mmHg
Molecular Weight 318.126
Flash Point 285 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anthraquinone,4-amino-2-bromo-1-hydroxy- (6CI,7CI,8CI);1-Amino-3-bromo-4-hydroxyanthraquinone;
PSA 80.39000
LogP 3.09350

9,10-Anthracenedione,4-amino-2-bromo-1-hydroxy- Specification

This chemical is called 9,10-Anthracenedione,4-amino-2-bromo-1-hydroxy-, and its systematic name is 1-amino-2-bromo-4-hydroxyanthracene-9,10-dione. With the molecular formula of C₁₄H₈BrNO₃, its molecular weight is 318.12. The CAS registry number of this chemical is 3251-92-1.

Other characteristics of the 9,10-Anthracenedione,4-amino-2-bromo-1-hydroxy- can be summarised as followings: (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)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.76; (14)Molar Refractivity: 72.47 cm³; (15)Molar Volume: 175.9 cm³; (16)Polarizability: 28.73×10^-24cm³; (17)Surface Tension: 81.7 dyne/cm; (18)Density: 1.807 g/cm³; (19)Flash Point: 285 °C; (20)Enthalpy of Vaporization: 85.8 kJ/mol; (21)Boiling Point: 547.7 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2c1ccccc1C(=O)c3c2c(c(Br)cc3O)N
2.InChI: InChI=1/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-UHFFFAOYAD
4.Std. 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
5.Std. InChIKey: MSSQDESMUMSQEN-UHFFFAOYSA-N

Product Name

1-AMINO-2-BROMO-4-HYDROXY ANTHRAQUINONE

9,10-Anthracenedione,4-amino-2-bromo-1-hydroxy- Specification

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