Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethanone,1-(5-bromo-2-hydroxy-3-nitrophenyl)- |
EINECS | N/A |
CAS No. | 70978-54-0 | Density | 1.763g/cm3 |
PSA | 83.12000 | LogP | 2.78870 |
Solubility | N/A | Melting Point |
129-132 °C(lit.) |
Formula | C6H11NS2 | Boiling Point | 272.9 °C at 760 mmHg |
Molecular Weight | 260.044 | Flash Point | 118.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Acetophenone,5'-bromo-2'-hydroxy-3'-nitro- (7CI);1-(5-Bromo-2-hydroxy-3-nitrophenyl)ethanone;2-Acetyl-4-bromo-6-nitrophenol;5'-Bromo-2'-hydroxy-3'-nitroacetophenone; |
Article Data | 3 |
The Ethanone,1-(5-bromo-2-hydroxy-3-nitrophenyl)-, with CAS registry number 70978-54-0, belongs to the following product category: Aromatic Acetophenones & Derivatives (substituted). It has the systematic name of 1-(5-bromo-2-hydroxy-3-nitrophenyl)ethanone. And the chemical formula of this chemical is C6H11NS2.
Physical properties of Ethanone,1-(5-bromo-2-hydroxy-3-nitrophenyl)-: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 72.12 Å2; (7)Index of Refraction: 1.629; (8)Molar Refractivity: 52.39 cm3; (9)Molar Volume: 147.4 cm3; (10)Polarizability: 20.77×10-24cm3; (11)Surface Tension: 61.8 dyne/cm; (12)Density: 1.763 g/cm3; (13)Flash Point: 118.9 °C; (14)Enthalpy of Vaporization: 53.18 kJ/mol; (15)Boiling Point: 272.9 °C at 760 mmHg; (16)Vapour Pressure: 0.00354 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(5-bromo-2-hydroxy-3-nitrophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact 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=[N+]([O-])c1c(O)c(cc(Br)c1)C(=O)C
(2)InChI: InChI=1/C8H6BrNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
(3)InChIKey: CLNIBJASCGZXHH-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H6BrNO4/c1-4(11)6-2-5(9)3-7(8(6)12)10(13)14/h2-3,12H,1H3
(5)Std. InChIKey: CLNIBJASCGZXHH-UHFFFAOYSA-N