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CAS No.: | 742099-65-6 |
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Name: | 5-BROMO-2-(N-MORPHOLINO)-BENZALDEHYDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C11H12BrNO2 |
Molecular Weight: | 270.126 |
Synonyms: | 5-Bromo-2-(n-morpholino)-benzaldehyde; |
Density: | 1.495 g/cm3 |
Boiling Point: | 401.7 °C at 760 mmHg |
Flash Point: | 196.7 °C |
Hazard Symbols: | Xi |
PSA: | 29.54000 |
LogP: | 2.16320 |
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The Benzaldehyde,5-bromo-2-(4-morpholinyl)-, with the CAS registry number 742099-65-6, is also known as 5-Bromo-2-(n-morpholino)-benzaldehyde. This chemical's molecular formula is C11H12BrNO2 and molecular weight is 270.12. What's more, its systematic name is 5-bromo-2-morpholin-4-ylbenzaldehyde. When you are dealing with this chemical, this chemical you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzaldehyde,5-bromo-2-(4-morpholinyl)- are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.65; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.61; (6)ACD/BCF (pH 7.4): 10.64; (7)ACD/KOC (pH 5.5): 188.55; (8) ACD/KOC (pH 7.4): 189.16; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 62.5 cm3; (15)Molar Volume: 180.5 cm3; (16) Polarizability: 24.77×10-24 cm3; (17)Surface Tension: 49.6 dyne/cm; (18) Density: 1.495 g/cm3; (19)Flash Point: 196.7 °C; (20) Enthalpy of Vaporization: 65.27 kJ/mol; (21)Boiling Point: 401.7 °C at 760 mmHg; (22)Vapour Pressure: 1.16E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(C=O)c(cc1)N2CCOCC2
(2)InChI: InChI=1/C11H12BrNO2/c12-10-1-2-11(9(7-10)8-14)13-3-5-15-6-4-13/h1-2,7-8H,3-6H2
(3)InChIKey: JBXQFFOLHURHCW-UHFFFAOYAO