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| CAS No.: | 343864-78-8 |
|---|---|
| Name: | 4-broMo-2-iodo-1-nitrobenzene |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H3BrINO2 |
| Molecular Weight: | 327.904 |
| Synonyms: | 4-broMo-2-iodo-1-nitrobenzene |
| Density: | 2.3±0.1 g/cm3 |
| Boiling Point: | 327.4±32.0 °C at 760 mmHg |
| Flash Point: | 151.8±25.1 °C |
| PSA: | 45.82000 |
| LogP: | 3.48510 |
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Specification
The 4-Bromo-2-iodo-1-nitrobenzene, with the CAS registry number 343864-78-8, is also known as Benzene, 4-bromo-2-iodo-1-nitro-. This chemical's molecular formula is C6H3BrINO2 and molecular weight is 327.90. What's more, its systematic name is 4-Bromo-2-iodo-1-nitrobenzene.
Physical properties of 4-Bromo-2-iodo-1-nitrobenzene are: (1)ACD/LogP: 3.37±0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 214.66; (6)ACD/BCF (pH 7.4): 214.66; (7)ACD/KOC (pH 5.5): 1624.31; (8)ACD/KOC (pH 7.4): 1624.31; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 53.4±0.3 cm3; (15)Molar Volume: 139.5±3.0 cm3; (16)Polarizability: 21.2±0.5×10-24cm3; (17)Surface Tension: 60.3±3.0 dyne/cm; (18)Density: 2.3±0.1 g/cm3; (19)Flash Point: 151.8±25.1 °C; (20)Enthalpy of Vaporization: 54.7±3.0 kJ/mol; (21)Boiling Point: 327.4±32.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1Br)I)[N+](=O)[O-]
(2)Std. InChI: InChI=1S/C6H3BrINO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
(3)Std. InChIKey: VWDMDPDGACOPSR-UHFFFAOYSA-N