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Cas Database |
| Name |
Ethyl 2-bromo-3-nitrobenzoate |
EINECS | N/A |
| CAS No. | 31706-23-7 | Density | 1.594 g/cm3 |
| PSA | 72.12000 | LogP | 3.05720 |
| Solubility | N/A | Melting Point |
38 °C |
| Formula | C9H8BrNO4 | Boiling Point | 314.5 °C at 760 mmHg |
| Molecular Weight | 274.07 | Flash Point | 144 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Bromo-3-nitrobenzoic acid ethyl ester; |
Article Data | 4 |
Ethyl 2-bromo-3-nitrobenzoate Chemical Properties
Molecular Structure of Ethyl 2-bromo-3-nitrobenzoate (CAS No.31706-23-7):
Molecular Formula: C9H8BrNO4
Molecular Weight: 274.07
IUPAC Name: Ethyl 2-bromo-3-nitrobenzoate
CAS No: 31706-23-7
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 72.12 Å2
Index of Refraction: 1.576
Molar Refractivity: 56.89 cm3
Molar Volume: 171.8 cm3
Surface Tension: 50.3 dyne/cm
Density: 1.594 g/cm3
Flash Point: 144 °C
Enthalpy of Vaporization: 55.57 kJ/mol
Boiling Point: 314.5 °C at 760 mmHg
Vapour Pressure of Ethyl 2-bromo-3-nitrobenzoate (CAS No.31706-23-7): 0.000463 mmHg at 25°C
Canonical SMILES: CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])Br
InChI: InChI=1S/C9H8BrNO4/c1-2-15-9(12)6-4-3-5-7(8(6)10)11(13)14/h3-5H,2H2,1H3
InChIKey: WTNZOABLVURCTP-UHFFFAOYSA-N
Ethyl 2-bromo-3-nitrobenzoate Specification
Ethyl 2-bromo-3-nitrobenzoate (CAS No.31706-23-7), it also can be called 2-Bromo-3-nitrobenzoic acid ethyl ester ; Benzoic acid, 2-bromo-3-nitro-, ethyl ester .
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