[1,1'-Biphenyl]-3-carboxaldehyde,3'-methoxy- supplier

Name
3-(3-METHOXYPHENYL)BENZALDEHYDE
EINECS
CAS No. 126485-58-3
Article Data9
CAS DataBase
Density 1.114 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₂O₂
Boiling Point 361.1 °C at 760 mmHg
Molecular Weight 212.248
Flash Point 166.7 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 3-(3-Methoxyphenyl)benzaldehyde;3'-Methoxybiphenyl-3-carboxaldehyde;3'-methoxybiphenyl-3-carbaldehyde;[1,1'-Biphenyl]-3-carboxaldehyde, 3'-methoxy-;3'-Methoxybiphenyl-3-carbaldehyde;3-(3-methoxyphenyl)benzaldehyde;
PSA 26.30000
LogP 3.17470

[1,1'-Biphenyl]-3-carboxaldehyde,3'-methoxy- Specification

The [1,1'-Biphenyl]-3-carboxaldehyde,3'-methoxy-, with the CAS registry number 126485-58-3, has the systematic name and IUPAC name of 3'-methoxybiphenyl-3-carbaldehyde. It is a kind of irritant chemical, and belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₄H₁₂O₂.

The characteristics of [1,1'-Biphenyl]-3-carboxaldehyde,3'-methoxy- are as followings: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 243.49; (6)ACD/BCF (pH 7.4): 243.49; (7)ACD/KOC (pH 5.5): 1777.65; (8)ACD/KOC (pH 7.4): 1777.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 64.27 cm³; (15)Molar Volume: 190.3 cm³; (16)Polarizability: 25.48×10^-24cm³; (17)Surface Tension: 41.2 dyne/cm; (18)Density: 1.114 g/cm³; (19)Flash Point: 166.7 °C; (20)Enthalpy of Vaporization: 60.69 kJ/mol; (21)Boiling Point: 361.1 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc2cccc(c1cc(OC)ccc1)c2
(2)InChI: InChI=1/C14H12O2/c1-16-14-7-3-6-13(9-14)12-5-2-4-11(8-12)10-15/h2-10H,1H3
(3)InChIKey: GLGWNAPAIMXRGT-UHFFFAOYAZ

Product Name

3-(3-METHOXYPHENYL)BENZALDEHYDE

[1,1'-Biphenyl]-3-carboxaldehyde,3'-methoxy- Specification

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