4-(2-Methylphenyl)benzaldehyde supplier

Name
2'-METHYL-BIPHENYL-4-CARBALDEHYDE
EINECS
CAS No. 108934-21-0
Article Data38
CAS DataBase
Density 1.074 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂O
Boiling Point 321.9 °C at 760 mmHg
Molecular Weight 196.249
Flash Point 164.6 °C
Transport Information
Appearance
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;
PSA 17.07000
LogP 3.47450

4-(2-Methylphenyl)benzaldehyde Specification

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

Product Name

2'-METHYL-BIPHENYL-4-CARBALDEHYDE

4-(2-Methylphenyl)benzaldehyde Specification

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