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Name |
Phenol,2-bromo-5-nitro- |
EINECS | N/A |
CAS No. | 52427-05-1 | Density | 1.881 g/cm3 |
PSA | 66.05000 | LogP | 2.58610 |
Solubility | N/A | Melting Point |
118-119 °C |
Formula | C6H4BrNO3 | Boiling Point | 278.882 °C at 760 mmHg |
Molecular Weight | 218.007 | Flash Point | 122.464 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 61 | Risk Codes | 50 |
Molecular Structure | Hazard Symbols | N | |
Synonyms |
2-Bromo-5-nitrophenol; |
Article Data | 15 |
The Phenol,2-bromo-5-nitro- is an organic compound with the formula C6H4BrNO3. With the CAS registry number 52427-05-1, the IUPAC name of this chemical is 2-bromo-5-nitrophenol.
Physical properties about Phenol,2-bromo-5-nitro- are: (1)ACD/LogP: 2.63; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 67; (5)ACD/BCF (pH 7.4): 11; (6)ACD/KOC (pH 5.5): 693; (7)ACD/KOC (pH 7.4): 112; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 66.05 Å2; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 42.37 cm3; (14)Molar Volume: 115.89 cm3; (15)Polarizability: 16.797×10-24cm3; (16)Surface Tension: 64.376 dyne/cm; (17)Density: 1.881 g/cm3; (18)Flash Point: 122.464 °C; (19)Enthalpy of Vaporization: 53.833 kJ/mol; (20)Boiling Point: 278.882 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(ccc1Br)N(=O)=O
(2)InChI: InChI=1/C6H4BrNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H
(3)InChIKey: KNJNITQHVLIWBN-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H4BrNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H
(5)Std. InChIKey: KNJNITQHVLIWBN-UHFFFAOYSA-N