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| CAS No.: | 57559-52-1 |
|---|---|
| Name: | 4-Methoxy-2-nitrobenzyl bromide |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C8H8BrNO3 |
| Molecular Weight: | 246.06 |
| Synonyms: | Anisole,4-(bromomethyl)-3-nitro- (6CI,7CI);2-Bromomethyl-5-methoxynitrobenzene;4-Methoxy-2-nitrobenzyl bromide;a-Bromo-4-methoxy-2-nitrotoluene; |
| Density: | 1.589 |
| Melting Point: | 66.5℃ (ethanol ) |
| Boiling Point: | 330.5 °C at 760 mmHg |
| Flash Point: | 153.7 °C |
| PSA: | 55.05000 |
| LogP: | 3.02150 |
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- Total:31 Page 1 of 1 1
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Specification
The 4-Methoxy-2-nitrobenzyl bromide is a kind of organic compounds with cas registry number of 57559-52-1. Both its systematic name and IUPAC name are the same which is called 1-(bromomethyl)-4-methoxy-2-nitrobenzene.
The physical properties about this chemical are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.588; (7)Molar Refractivity: 52.12 cm3; (8)Molar Volume: 154.7 cm3; (9)Surface Tension: 48.4 dyne/cm; (10)Density: 1.589 g/cm3; (11)Flash Point: 153.7 °C; (12)Enthalpy of Vaporization: 55.03 kJ/mol; (13)Boiling Point: 330.5 °C at 760 mmHg; (14)Vapour Pressure: 0.000319 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(ccc(OC)c1)CBr;
(2)InChI: InChI=1/C8H8BrNO3/c1-13-7-3-2-6(5-9)8(4-7)10(11)12/h2-4H,5H2,1H3;
(3)InChIKey: WZFGFNGYZZHELE-UHFFFAOYAR