Basic Information | Post buying leads | Suppliers |
Name |
2-Ethylphenanthrene |
EINECS | N/A |
CAS No. | 3674-74-6 | Density | 1.082 g/cm3 |
PSA | 0.00000 | LogP | 4.55540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H14 | Boiling Point | 364.3 °C at 760mmHg |
Molecular Weight | 206.287 | Flash Point | 165.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Phenanthrene, 2-ethyl-;2-ethhyl-phenanthrene; |
The IUPAC name of this chemical is 2-ethylphenanthrene. With the CAS registry number 3674-74-6, it is also named as Phenanthrene, 2-ethyl-. What's more, the formula is C16H14 and the molecular weight is 206.28. In addition, people should be careful when using this chemical.
The other characteristics of 2-Ethylphenanthrene can be summarized as: (1)ACD/LogP: 5.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.67; (4)ACD/LogD (pH 7.4): 5.67; (5)ACD/BCF (pH 5.5): 12023.79; (6)ACD/BCF (pH 7.4): 12023.79; (7)ACD/KOC (pH 5.5): 28978.9; (8)ACD/KOC (pH 7.4): 28978.9; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 71.48 cm3; (14)Molar Volume: 190.4 cm3; (15)Polarizability: 28.33×10-24 cm3; (16)Surface Tension: 44.3 dyne/cm; (17)Enthalpy of Vaporization: 58.64 kJ/mol; (18)Vapour Pressure: 3.57E-05 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 206.10955; (21)MonoIsotopic Mass: 206.10955; (22)Heavy Atom Count: 16; (23)Complexity: 232.
Preparation of 2-Ethylphenanthrene: It can be obtained by 1-[2]phenanthryl-ethanone. This reaction needs reagents amalgamated zinc and concentrated aqueous HCl.
People can use the following data to convert to the molecule structure.
1. SMILES:c3cc2c1c(cc(cc1)CC)ccc2cc3
2. InChI:InChI=1/C16H14/c1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16/h3-11H,2H2,1H3
3. InChIKey:UMAHMIHRNVICDZ-UHFFFAOYAU
4. Std. InChI:InChI=1S/C16H14/c1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16/h3-11H,2H2,1H3
5. Std. InChIKey:UMAHMIHRNVICDZ-UHFFFAOYSA-N