Products Categories
CAS No.: | 365-21-9 |
---|---|
Name: | 1-(chlorophenylmethyl)-4-fluorobenzene |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C13H10ClF |
Molecular Weight: | 220.674 |
Synonyms: | Methane,chloro(p-fluorophenyl)phenyl- (6CI,7CI,8CI);4-Fluorobenzhydryl chloride; |
EINECS: | 206-670-2 |
Density: | 1.191 g/cm3 |
Boiling Point: | 294.8 °C at 760mmHg |
Flash Point: | 139.1 °C |
PSA: | 0.00000 |
LogP: | 4.15390 |
What can I do for you?
Get Best Price
The IUPAC name of this chemical is 1-[chloro(phenyl)methyl]-4-fluorobenzene. With the CAS registry number 365-21-9 and EINECS 206-670-2, it is also named as Benzene, 1-(chlorophenylmethyl)-4-fluoro-. The formula is C13H10ClF and the molecular weight is 220.669903.
The other characteristics of 1-(Chlorophenylmethyl)-4-fluorobenzene can be summarized as: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.566; (8)Molar Refractivity: 60.41 cm3; (9)Molar Volume: 185.1 cm3; (10)Polarizability: 23.94×10-24 cm3; (11)Surface Tension: 38.9 dyne/cm; (12)Enthalpy of Vaporization: 51.31 kJ/mol; (13)Boiling Point: 294.8 °C at 760 mmHg; (14)Vapour Pressure: 0.00279 mmHg at 25°C; (15)Rotatable Bond Count: 2; (16)Exact Mass: 220.045506; (17)MonoIsotopic Mass: 220.045506; (18)Heavy Atom Count: 15; (19)Complexity: 181; (20)Undefined Atom StereoCenter Count: 1.
People can use the following data to convert to the molecule structure.
1. SMILES:ClC(c1ccc(F)cc1)c2ccccc2
2. InChI:InChI=1/C13H10ClF/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h1-9,13H
3. InChIKey:GNFODANOHXAUPE-UHFFFAOYAS
4. Std. InChI:InChI=1S/C13H10ClF/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h1-9,13H
5. Std. InChIKey:GNFODANOHXAUPE-UHFFFAOYSA-N