9-Phenanthrenecarboxaldehyde CAS NO.4707-71-5

1.Introduction of 4707-71-5

With the systematic name of 9-phenanthrenecarbaldehyde, it has the CAS registry number of 4707-71-5. Its synonyms

1.Introduction of 4707-71-5

With the systematic name of 9-phenanthrenecarbaldehyde, it has the CAS registry number of 4707-71-5. Its synonyms are 9-phenanthrenecarbaldehyde, 9-formylphenanthrene, 9-phenanthrenealdehyde, 9-phenanthrenecarboxaldehyde, phenanthrene-9-carboxaldehyde, phenanthrene-9-aldehyde and phenanthrene-9-carbaldehyde. It is widely used as aldehydes, C10 to C21, carbonyl compounds, aromatics, fluorescent labels & indicators.

2.Properties of 4707-71-5

ACD/LogP: 3.821
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 3.82
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 5.5): 471.81
ACD/BCF (pH 7.4): 471.81
ACD/KOC (pH 5.5): 2854.21
ACD/KOC (pH 7.4): 2854.21
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
Polar Surface Area: 17.07  2
Index of Refraction: 1.746
Molar Refractivity: 68.691 cm3
Molar Volume: 169.331 cm3
Polarizability: 27.231 10-24cm3
Surface Tension: 54.4599990844727 dyne/cm
Density: 1.218 g/cm3
Flash Point: 269.181 °C
Enthalpy of Vaporization: 65.736 kJ/mol
Boiling Point: 405.732 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 4707-71-5

(1)InChI: InChI=1S/C15H10O/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-10H
(2)InChIKey: QECIGCMPORCORE-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C=O

4.Safety Information of 4707-71-5

Safety Statements: 22-24/25
WGK Germany: 3
F: 10