CAS No.108934-21-0,2'-METHYL-BIPHENYL-4-CARBALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	108934-21-0
Name:	2'-METHYL-BIPHENYL-4-CARBALDEHYDE
Article Data:	38

Formula:	C₁₄H₁₂O
Molecular Weight:	196.249
Synonyms:	2'-Methyl [1,1'-biphenyl]-4-carboxaldehyde;2'-Methyl-biphenyl-4-carboxaldehyde;
Density:	1.074 g/cm³
Boiling Point:	321.9 °C at 760 mmHg
Flash Point:	164.6 °C
Hazard Symbols:	Xi
Risk Codes:	22-36-51/53
Safety:	26-61
PSA:	17.07000
LogP:	3.47450

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- China (Mainland)(16)
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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