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Name |
2-Phenoxybenzaldehyde |
EINECS | 243-061-0 |
CAS No. | 19434-34-5 | Density | 1.154 g/cm3 |
PSA | 26.30000 | LogP | 3.29140 |
Solubility | Very slightly soluble in water. | Melting Point |
N/A |
Formula | C13H10O2 | Boiling Point | 301.7 °C at 760 mmHg |
Molecular Weight | 198.221 | Flash Point | 131.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 22-36/37/38 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Benzaldehyde,o-phenoxy- (6CI,8CI);2-Phenoxybenzaldehyde;o-Phenoxybenzaldehyde; |
Article Data | 81 |
The IUPAC name of 2-Phenoxybenzaldehyde is 2-phenoxybenzaldehyde. With the CAS registry number 19434-34-5, it is also named as o-Phenoxybenzaldehyde. The product's categories are Carbonyl Compounds; Aromatic Aldehydes & Derivatives (substituted). Besides, it is air sensitive, which should be stored in closed, dark, ventilated and dry place at room temperature. In addition, its molecular formula is C13H10O2 and molecular weight is 198.22.
The other characteristics of 2-Phenoxybenzaldehyde can be summarized as: (1)EINECS: 243-061-0; (2)ACD/LogP: 3.44; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.44; (5)ACD/LogD (pH 7.4): 3.44; (6)ACD/BCF (pH 5.5): 243.04; (7)ACD/BCF (pH 7.4): 243.04; (8)ACD/KOC (pH 5.5): 1775.3; (9)ACD/KOC (pH 7.4): 1775.3; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 26.3 Å2; (14)Index of Refraction: 1.609; (15)Molar Refractivity: 59.44 cm3; (16)Molar Volume: 171.6 cm3; (17)Polarizability: 23.56×10-24cm3; (18)Surface Tension: 44.5 dyne/cm; (19)Density: 1.154 g/cm3; (20)Flash Point: 131.9 °C; (21)Enthalpy of Vaporization: 54.19 kJ/mol; (22)Boiling Point: 301.7 °C at 760 mmHg; (23)Vapour Pressure: 0.00104 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=Cc2ccccc2Oc1ccccc1
(2)InChI: InChI=1/C13H10O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10H
(3)InChIKey: IMPIIVKYTNMBCD-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H10O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-10H
(5)Std. InChIKey: IMPIIVKYTNMBCD-UHFFFAOYSA-N