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| CAS No.: | 43192-33-2 |
|---|---|
| Name: | 4-Bromo-2-methoxybenzaldehyde |
| Article Data: | 24 |
| Molecular Structure: | |
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|
|
| Formula: | C8H7BrO2 |
| Molecular Weight: | 215.046 |
| Synonyms: | 4-Bromo-2-methoxybenzaldehyde;4-Bromo-2-methoxybenzenecarboxaldehyde; |
| Density: | 1.522 g/cm3 |
| Melting Point: | 67-71 °C |
| Boiling Point: | 288.106 °C at 760 mmHg |
| Flash Point: | 128.042 °C |
| Solubility: | Soluble in water. |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 24/25 |
| PSA: | 26.30000 |
| LogP: | 2.27020 |
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Specification
The 4-Bromo-2-methoxybenzaldehyde, with the CAS registry number 43192-33-2, is also known as 4-Bromo-2-methoxybenzenecarboxaldehyde. This chemical's molecular formula is C8H7BrO2 and molecular weight is 215.044. What's more, its systematic name is 4-Bromo-2-methoxybenzaldehyde. When you are dealing with this chemical, you should be very careful. This chemical is harmful if swallowed.
Physical properties about 4-Bromo-2-methoxybenzaldehyde are: (1) ACD/LogP: 2.71; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 75; (6) ACD/BCF (pH 7.4): 75; (7) ACD/KOC (pH 5.5): 763; (8) ACD/KOC (pH 7.4): 763; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 26.3 Å2; (13) Index of Refraction: 1.585; (14) Molar Refractivity: 47.374 cm3; (15) Molar Volume: 141.286 cm3; (16) Polarizability: 18.781×10-24 cm3; (17) Surface Tension: 41.916 dyne/cm; (18) Density: 1.522 g/cm3; (19) Flash Point: 128.042 °C; (20) Enthalpy of Vaporization: 52.732 kJ/mol; (21) Boiling Point: 288.106 °C at 760 mmHg; (22) Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1c(OC)cc(Br)cc1
(2) InChI: InChI=1/C8H7BrO2/c1-11-8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
(3) InChIKey: YMXQYZABFWVXEK-UHFFFAOYAP