2-Phenanthrenecarboxylic acid methyl ester supplier

Name
2-Phenanthrenecarboxylic acid methyl ester
EINECS
CAS No. 25308-63-8
Article Data5
CAS DataBase
Density 1.208 g/cm³
Solubility
Melting Point 96-96.5 °C
Formula C₁₆H₁₂O₂
Boiling Point 405.366 °C at 760 mmHg
Molecular Weight 236.27
Flash Point 194.335 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl2-phenanthroate;methyl phenanthrene-2-carboxylate;
PSA 26.30000
LogP 3.77960

2-Phenanthrenecarboxylic acid methyl ester Specification

The 2-Phenanthrenecarboxylic acid methyl ester with the CAS number 25308-63-8 is also called Methyl2-phenanthroate. Both the systematic name and IUPAC name are methyl phenanthrene-2-carboxylate. Its molecular formula is C₁₆H₁₂O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 2-Phenanthrenecarboxylic acid methyl ester are: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.493; (4)ACD/LogD (pH 7.4): 4.493; (5)ACD/BCF (pH 5.5): 1529.314; (6)ACD/BCF (pH 7.4): 1529.314; (7)ACD/KOC (pH 5.5): 6623.09; (8)ACD/KOC (pH 7.4): 6623.09; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 73.711 cm³; (15)Molar Volume: 195.558 cm³; (16)Polarizability: 29.221×10^-24cm³; (17)Surface Tension: 49.912 dyne/cm; (18)Enthalpy of Vaporization: 65.694 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1ccc2c(c1)ccc3c2cccc3
(2)InChI: InChI=1/C16H12O2/c1-18-16(17)13-8-9-15-12(10-13)7-6-11-4-2-3-5-14(11)15/h2-10H,1H3
(3)InChIKey: ATXRQOKSTOTYJH-UHFFFAOYAA

Product Name

2-Phenanthrenecarboxylic acid methyl ester

2-Phenanthrenecarboxylic acid methyl ester Specification

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