CAS No.70978-54-0,5'-BROMO-2'-HYDROXY-3'-NITROACETOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70978-54-0
Name:	5'-BROMO-2'-HYDROXY-3'-NITROACETOPHENONE
Article Data:	3

Formula:	C₆H₁₁NS₂
Molecular Weight:	260.044
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;
Density:	1.763g/cm³
Melting Point:	129-132 °C(lit.)
Boiling Point:	272.9 °C at 760 mmHg
Flash Point:	118.9 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	83.12000
LogP:	2.78870

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Specification

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