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| CAS No.: | 76361-99-4 |
|---|---|
| Name: | 3-Bromo-2-nitrophenol |
| Molecular Structure: | |
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| Formula: | C6H4BrNO3 |
| Molecular Weight: | 218.007 |
| Synonyms: | 3-Bromo-2-nitrophenol; |
| Density: | 1.881 g/cm3 |
| Melting Point: | 65-67 °C |
| Boiling Point: | 234.4 °C at 760 mmHg |
| Flash Point: | 95.6 °C |
| PSA: | 66.05000 |
| LogP: | 2.58610 |
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Specification
The 3-Bromo-2-nitrophenol is an organic compound with the formula C6H4BrNO3. The systematic name of this chemical is 3-bromo-2-nitrophenol. With the CAS registry number 76361-99-4, it is also named as 2-Bromo-6-hydroxynitrobenzene.
Physical properties about 3-Bromo-2-nitrophenol are: (1)ACD/LogP: 2.66; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/BCF (pH 5.5): 5.57; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 60.08; (6)ACD/KOC (pH 7.4): 1.29; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 66.05 Å2; (11)Index of Refraction: 1.651; (12)Molar Refractivity: 42.37 cm3; (13)Molar Volume: 115.8 cm3; (14)Polarizability: 16.79×10-24cm3; (15)Surface Tension: 64.3 dyne/cm; (16)Density: 1.881 g/cm3; (17)Flash Point: 95.6 °C; (18)Enthalpy of Vaporization: 49.03 kJ/mol; (19)Boiling Point: 234.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0346 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1c(O)cccc1Br
(2)InChI: InChI=1/C6H4BrNO3/c7-4-2-1-3-5(9)6(4)8(10)11/h1-3,9H
(3)InChIKey: AUORDBJGOHYGKR-UHFFFAOYAZ