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| CAS No.: | 500298-30-6 |
|---|---|
| Name: | 1-Bromo-3-methoxy-2-nitrobenzene |
| Molecular Structure: | |
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| Formula: | C7H6BrNO3 |
| Molecular Weight: | 232.034 |
| Synonyms: | 1-Bromo-3-methoxy-2-nitrobenzene;NSC 88011;1-bromo-3-methoxy-2-nitrobenzene;2-Bromo-6-methoxynitrobenzene;3-Bromo-2-nitroanisole;3-Bromo-2-nitrophenyl methyl ether;Benzene, 1-bromo-3-methoxy-2-nitro-; |
| Density: | 1.64 g/cm3 |
| Melting Point: | 72.0 to 76.0 °C |
| Boiling Point: | 270.1 °C at 760 mmHg |
| Flash Point: | 117.1 °C |
| PSA: | 55.05000 |
| LogP: | 2.88910 |
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Specification
The 1-Bromo-3-methoxy-2-nitrobenzene, with the CAS registry number 500298-30-6, has the systematic name of 1-bromo-3-methoxy-2-nitrobenzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H6BrNO3.
The characteristics of 1-Bromo-3-methoxy-2-nitrobenzene are as followings: (1)CD/LogP: 2.42; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 55.05 Å2; (7)Index of Refraction: 1.581; (8)Molar Refractivity: 47.16 cm3; (9)Molar Volume: 141.4 cm3; (10)Polarizability: 18.69×10-24cm3; (11)Surface Tension: 46.7 dyne/cm; (12)Density: 1.64 g/cm3; (13)Flash Point: 117.1 °C; (14)Enthalpy of Vaporization: 48.78 kJ/mol; (15)Boiling Point: 270.1 °C at 760 mmHg; (16)Vapour Pressure: 0.0116 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=[N+]([O-])c1c(OC)cccc1Br
(2)InChI: InChI=1/C7H6BrNO3/c1-12-6-4-2-3-5(8)7(6)9(10)11/h2-4H,1H3
(3)InChIKey: ORSPVBUIPTYLLO-UHFFFAOYAF