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Cas Database |
| Name |
Methyl 2-bromo-4-nitrobenzoate |
EINECS | N/A |
| CAS No. | 100959-22-6 | Density | 1.674 g/cm3 |
| PSA | 72.12000 | LogP | 2.66710 |
| Solubility | N/A | Melting Point |
82.0 to 86.0 °C |
| Formula | C8H6BrNO4 | Boiling Point | 339.199 °C at 760 mmHg |
| Molecular Weight | 260.044 | Flash Point | 158.942 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Methyl2-bromo-4-nitrobenzoate; |
Article Data | 22 |
Methyl 2-bromo-4-nitrobenzoate Chemical Properties
Molecular Structure of Methyl 2-bromo-4-nitrobenzoate (100959-22-6):
IUPAC Name: Methyl 2-bromo-4-nitrobenzoate
Molecular Formula: C8H6BrNO4
Molecular Weight: 260.04154 g/mol
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 4
Canonical SMILES: COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Br
InChI: InChI=1S/C8H6BrNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3
InChIKey: XYMZAFDNPJLOTP-UHFFFAOYSA-N
Index of Refraction: 1.587
Molar Refractivity: 52.26 cm3
Molar Volume: 155.3 cm3
Surface Tension: 52.4 dyne/cm
Density: 1.673 g/cm3
Flash Point: 158.9 °C
Boiling Point: 339.2 °C at 760 mmHg
Enthalpy of Vaporization: 58.26 kJ/mol
Vapour Pressure: 9.34E-05 mmHg at 25 °C
Water Solubility: 57.84 mg/L at 25 °C
Methyl 2-bromo-4-nitrobenzoate Specification
Methyl 2-bromo-4-nitrobenzoate (100959-22-6) is known as Benzoic acid, 2-bromo-4-nitro-, methyl ester . Methyl 2-bromo-4-nitrobenzoate (100959-22-6) can be used as a pharmaceutical intermediate.
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