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CAS No.: | 60633-78-5 |
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Name: | 2-(2-BROMOETHOXY)BENZENECARBALDEHYDE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C9H9BrO2 |
Molecular Weight: | 229.073 |
Synonyms: | AKOS BC-2192;2-(2-BROMOETHOXY)BENZENECARBALDEHYDE;2-(2-bromoethoxy)benzaldehyde |
Density: | 1.479 g/cm3 |
Melting Point: | 59-62 °C |
Boiling Point: | 320.2 °C at 760 mmHg |
Flash Point: | 147.4 °C |
PSA: | 26.30000 |
LogP: | 2.27280 |
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This chemical is called 2-(2-Bromoethoxy)benzaldehyde, and its CAS registry number is 60633-78-5. With the molecular formula of C9H9BrO2, its molecular weight is 229.07.
Other characteristics of the 2-(2-Bromoethoxy)benzaldehyde can be summarised as followings: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 45.19; (6)ACD/BCF (pH 7.4): 45.19; (7)ACD/KOC (pH 5.5): 532.47; (8)ACD/KOC (pH 7.4): 532.47; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 52.04 cm3; (15)Molar Volume: 154.7 cm3; (16)Polarizability: 20.63×10-24cm3; (17)Surface Tension: 45 dyne/cm; (18)Density: 1.479 g/cm3; (19)Flash Point: 147.4 °C; (20)Enthalpy of Vaporization: 56.18 kJ/mol; (21)Boiling Point: 320.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000323 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1ccccc1OCCBr
2.InChI: InChI=1/C9H9BrO2/c10-5-6-12-9-4-2-1-3-8(9)7-11/h1-4,7H,5-6H2
3.InChIKey: WFWZIRRKFGVIOS-UHFFFAOYAR