Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(2-Methylphenyl)benzaldehyde |
EINECS | N/A |
CAS No. | 108934-21-0 | Density | 1.074 g/cm3 |
PSA | 17.07000 | LogP | 3.47450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H12O | Boiling Point | 321.9 °C at 760 mmHg |
Molecular Weight | 196.249 | Flash Point | 164.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-61 | Risk Codes | 22-36-51/53 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2'-Methyl [1,1'-biphenyl]-4-carboxaldehyde;2'-Methyl-biphenyl-4-carboxaldehyde; |
Article Data | 38 |
This chemical is an organic compound with the formula C14H12O. The IUPAC name of this chemical is 4-(2-methylphenyl)benzaldehyde. With the CAS registry number 108934-21-0, it is also named as [1,1'-Biphenyl]-4-carboxaldehyde, 2'-methyl-. In addition, the molecular weight is 196.25.
The other characteristics of 4-(2-Methylphenyl)benzaldehyde can be summarized as: (1)ACD/LogP: 4.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.29; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1067.71; (6)ACD/BCF (pH 7.4): 1067.71; (7)ACD/KOC (pH 5.5): 5121.14; (8)ACD/KOC (pH 7.4): 5121.14; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 62.42 cm3; (14)Molar Volume: 182.6 cm3; (15)Polarizability: 24.74×10-24 cm3; (16)Surface Tension: 41.4 dyne/cm; (17)Enthalpy of Vaporization: 56.37 kJ/mol; (18)Vapour Pressure: 0.000289 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 196.088815; (21)MonoIsotopic Mass: 196.088815; (22)Topological Polar Surface Area: 17.1; (23)Heavy Atom Count: 15; (24)Complexity: 203.
People can use the following data to convert to the molecule structure.
1. SMILES:O=Cc1ccc(cc1)c2ccccc2C
2. InChI:InChI=1/C14H12O/c1-11-4-2-3-5-14(11)13-8-6-12(10-15)7-9-13/h2-10H,1H3
3. InChIKey:HERVRULEZPWOIG-UHFFFAOYAW
4. Std. InChI:InChI=1S/C14H12O/c1-11-4-2-3-5-14(11)13-8-6-12(10-15)7-9-13/h2-10H,1H3
5. Std. InChIKey:HERVRULEZPWOIG-UHFFFAOYSA-N