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2-Ethylphenanthrene

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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 Molecular Structure of 3674-74-6 (2-Ethylphenanthrene) Hazard Symbols N/A
Synonyms

Phenanthrene, 2-ethyl-;2-ethhyl-phenanthrene;

 

2-Ethylphenanthrene Specification

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

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