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| CAS No.: | 52427-05-1 |
|---|---|
| Name: | 2-Bromo-4-nitrophenol |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C6H4BrNO3 |
| Molecular Weight: | 218.007 |
| Synonyms: | 2-Bromo-5-nitrophenol; |
| Density: | 1.881 g/cm3 |
| Melting Point: | 118-119 °C |
| Boiling Point: | 278.882 °C at 760 mmHg |
| Flash Point: | 122.464 °C |
| Hazard Symbols: | N |
| Risk Codes: | 50 |
| Safety: | 61 |
| PSA: | 66.05000 |
| LogP: | 2.58610 |
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- Total:23 Page 1 of 1 1
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Specification
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