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CAS No.: | 656305-82-7 |
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Name: | 3-(3,5-DICHLOROPHENYL)BENZALDEHYDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C13H8Cl2O |
Molecular Weight: | 251.112 |
Synonyms: | 3-(3,5-Dichlorophenyl)benzaldehyde;3',5'-Dichlorobiphenyl-3-carbaldehyde; |
Density: | 1.319 g/cm3 |
Boiling Point: | 391.1 °C at 760 mmHg |
Flash Point: | 165.4 °C |
PSA: | 17.07000 |
LogP: | 4.47290 |
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This chemical is called [1,1'-Biphenyl]-3-carboxaldehyde,3',5'-dichloro-, and it can also be named as 3-(3,5-Dichlorophenyl)benzaldehyde. With the molecular formula of C13H8Cl2O, its molecular weight is 251.11. The CAS registry number of this chemical is 656305-82-7, and its systematic name is 3',5'-Dichlorobiphenyl-3-carbaldehyde.
Other characteristics of the [1,1'-Biphenyl]-3-carboxaldehyde,3',5'-dichloro- can be summarised as followings: (1)ACD/LogP: 4.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.82; (4)ACD/LogD (pH 7.4): 4.82; (5)ACD/BCF (pH 5.5): 2718.63; (6)ACD/BCF (pH 7.4): 2718.63; (7)ACD/KOC (pH 5.5): 9997.76; (8)ACD/KOC (pH 7.4): 9997.76; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 67.38 cm3; (15)Molar Volume: 190.2 cm3; (16)Polarizability: 26.71×10-24 cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.319 g/cm3; (19)Flash Point: 165.4 °C; (20)Enthalpy of Vaporization: 64.07 kJ/mol; (21)Boiling Point: 391.1 °C at 760 mmHg; (22)Vapour Pressure: 2.52E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2cc(c1cccc(C=O)c1)cc(Cl)c2
2.InChI: InChI=1/C13H8Cl2O/c14-12-5-11(6-13(15)7-12)10-3-1-2-9(4-10)8-16/h1-8H
3.InChIKey: NYQHTXXDYQXIAM-UHFFFAOYAG