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CAS No.: | 90151-01-2 |
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Name: | Benzaldehyde, 4-hydroxy-2-iodo- |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H5IO2 |
Molecular Weight: | 248.02 |
Synonyms: | Benzaldehyde, 4-hydroxy-2-iodo-; |
Density: | 2.04 g/cm3 |
Melting Point: | 157-160 °C |
Boiling Point: | 337.564 °C at 760 mmHg |
Flash Point: | 157.953 °C |
PSA: | 37.30000 |
LogP: | 1.80930 |
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4-Hydroxy-2-iodobenzaldehyde is an organic compound with the formula C7H5IO2, and its systematic name is the same with the product name. With the CAS registry number 90151-01-2, it is also named as Benzaldehyde, 4-hydroxy-2-iodo-. In addition, the molecular weight is 247.93.
Physical properties of 4-Hydroxy-2-iodobenzaldehyde are: (1)ACD/LogP: 2.936; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 96.62; (6)ACD/BCF (pH 7.4): 25.27; (7)ACD/KOC (pH 5.5): 907.77; (8)ACD/KOC (pH 7.4): 237.38; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 47.794 cm3; (15)Molar Volume: 121.602 cm3; (16)Polarizability: 18.947×10-24cm3; (17)Surface Tension: 63.27 dyne/cm; (18)Density: 2.04 g/cm3; (19)Flash Point: 157.953 °C; (20)Enthalpy of Vaporization: 60.384 kJ/mol; (21)Boiling Point: 337.564 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1cc(O)ccc1C=O
(2)Std. InChI: InChI=1S/C7H5IO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H
(3)Std. InChIKey: FSNWAMYECSEIEX-UHFFFAOYSA-N