Ethanone,2-bromo-1-(4-hydroxy-3-nitrophenyl)- supplier

Name
2-BROMO-4'-HYDROXY-3'-NITROACETOPHENONE
EINECS
CAS No. 5029-61-8
Article Data4
CAS DataBase
Density 1.8 g/cm³
Solubility
Melting Point 93℃
Formula C₈H₆BrNO₄
Boiling Point 331.6 °C at 760 mmHg
Molecular Weight 260.044
Flash Point 154.4 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,2-bromo-4'-hydroxy-3'-nitro- (7CI,8CI);2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone;2-Bromo-4'-hydroxy-3'-nitroacetophenone;α-Bromo-4-hydroxy-3-nitroacetophenone;
PSA 83.12000
LogP 2.40120

Ethanone,2-bromo-1-(4-hydroxy-3-nitrophenyl)- Specification

The Ethanone,2-bromo-1-(4-hydroxy-3-nitrophenyl)-, with the CAS registry number 5029-61-8, is also known as 2-Bromo-4'-hydroxy-3'-nitroacetophenone. This chemical's molecular formula is C₈H₆BrNO₄ and molecular weight is 260.04. What's more, its systematic name is 2-bromo-1-(4-hydroxy-3-nitrophenyl)ethanone.

Physical properties of Ethanone,2-bromo-1-(4-hydroxy-3-nitrophenyl)- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): -0.24; (5)ACD/BCF (pH 5.5): 4.98; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 65.1; (8)ACD/KOC (pH 7.4): 1.26; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 52.43 cm³; (15)Molar Volume: 144.4 cm³; (16)Polarizability: 20.78×10^-24cm³; (17)Surface Tension: 68.2 dyne/cm; (18)Density: 1.8 g/cm³; (19)Flash Point: 154.4 °C; (20)Enthalpy of Vaporization: 59.71 kJ/mol; (21)Boiling Point: 331.6 °C at 760 mmHg; (22)Vapour Pressure: 7.99E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1O)C(=O)CBr
(2)InChI: InChI=1S/C8H6BrNO4/c9-4-8(12)5-1-2-7(11)6(3-5)10(13)14/h1-3,11H,4H2
(3)InChIKey: ADFUHIYILOQDHG-UHFFFAOYSA-N

Product Name

2-BROMO-4'-HYDROXY-3'-NITROACETOPHENONE

Ethanone,2-bromo-1-(4-hydroxy-3-nitrophenyl)- Specification

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