[1,1'-Biphenyl]-2-carboxaldehyde,2'-methyl- supplier

Name
2'-METHYL-BIPHENYL-2-CARBOXALDEHYDE
EINECS
CAS No. 7111-68-4
Article Data36
CAS DataBase
Density 1.074g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂O
Boiling Point 327.1 °C at 760 mmHg
Molecular Weight 196.249
Flash Point 171 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Biphenylcarboxaldehyde,2'-methyl- (7CI,8CI);2-(o-Tolyl)benzaldehyde;2'-Methyl-1,1'-biphenyl-2-carboxaldehyde;2'-Methyl-2-biphenylcarboxaldehyde;
PSA 17.07000
LogP 3.47450

[1,1'-Biphenyl]-2-carboxaldehyde,2'-methyl- Specification

The [1,1'-Biphenyl]-2-carboxaldehyde,2'-methyl-, with CAS registry number 7111-68-4, has the systematic name of 2'-methylbiphenyl-2-carbaldehyde. Besides this, it is also called 2'-Methyl [1,1'-biphenyl]-2-carboxaldehyde. And the chemical formula of this chemical is C₁₄H₁₂O.

Physical properties of [1,1'-Biphenyl]-2-carboxaldehyde,2'-methyl-: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 298.47; (6)ACD/BCF (pH 7.4): 298.47; (7)ACD/KOC (pH 5.5): 2056.57; (8)ACD/KOC (pH 7.4): 2056.57; (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: 1.599; (14)Molar Refractivity: 62.42 cm³; (15)Molar Volume: 182.6 cm³; (16)Polarizability: 24.74×10^-24cm³; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.074 g/cm³; (19)Flash Point: 171 °C; (20)Enthalpy of Vaporization: 56.93 kJ/mol; (21)Boiling Point: 327.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000207 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c(c1ccccc1C)cccc2
(2)InChI: InChI=1/C14H12O/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15/h2-10H,1H3
(3)InChIKey: SEEYJCMPEVOYTF-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C14H12O/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15/h2-10H,1H3
(5)Std. InChIKey: SEEYJCMPEVOYTF-UHFFFAOYSA-N

Product Name

2'-METHYL-BIPHENYL-2-CARBOXALDEHYDE

[1,1'-Biphenyl]-2-carboxaldehyde,2'-methyl- Specification

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