Methyl phenanthrene-3-carboxylate supplier

Name
Methyl phenanthrene-3-carboxylate
EINECS
CAS No. 5345-98-2
Article Data8
CAS DataBase
Density 1.208 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₂O₂
Boiling Point 405.4 °C at 760mmHg
Molecular Weight 236.27
Flash Point 194.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl3-phenanthrenecarboxylate; Methyl 3-phenanthroate; NSC 1776
PSA 26.30000
LogP 3.77960

Methyl phenanthrene-3-carboxylate Specification

The Methyl phenanthrene-3-carboxylate is an organic compound with the formula C₁₆H₁₂O₂. The IUPAC name of this chemical is methyl phenanthrene-3-carboxylate. With the CAS registry number 5345-98-2, it is also named as 3-phenanthrenecarboxylic acid, methyl ester.

Physical properties about Methyl phenanthrene-3-carboxylate are: (1)ACD/LogP: 4.66; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 26.3 Å²; (5)Index of Refraction: 1.677; (6)Molar Refractivity: 73.71 cm³; (7)Molar Volume: 195.5 cm³; (8)Polarizability: 29.22×10^-24cm³; (9)Surface Tension: 49.9 dyne/cm; (10)Density: 1.208 g/cm³; (11)Flash Point: 194.3 °C; (12)Enthalpy of Vaporization: 65.69 kJ/mol; (13)Boiling Point: 405.4 °C at 760 mmHg; (14)Vapour Pressure: 8.81E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c3ccc2ccc1ccccc1c2c3
(2)InChI: InChI=1/C16H12O2/c1-18-16(17)13-9-8-12-7-6-11-4-2-3-5-14(11)15(12)10-13/h2-10H,1H3
(3)InChIKey: PFARRVCKSKRETF-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C16H12O2/c1-18-16(17)13-9-8-12-7-6-11-4-2-3-5-14(11)15(12)10-13/h2-10H,1H3
(5)Std. InChIKey: PFARRVCKSKRETF-UHFFFAOYSA-N

Product Name

Methyl phenanthrene-3-carboxylate

Methyl phenanthrene-3-carboxylate Specification

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