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| CAS No.: | 715-51-5 |
|---|---|
| Name: | 3-Chlorophenanthrene |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C14H9Cl |
| Molecular Weight: | 212.678 |
| Synonyms: | Phenanthrene, 3-chloro-; |
| Density: | 1.253 g/cm3 |
| Boiling Point: | 370.1 °C at 760 mmHg |
| Flash Point: | 179.2 °C |
| PSA: | 0.00000 |
| LogP: | 4.64640 |
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Specification
The 3-Chlorophenanthrene, with the CAS registry number 715-51-5, is also known as Phenanthrene, 3-chloro-. This chemical's molecular formula is C14H9Cl and molecular weight is 212.67. What's more, both its IUPAC name and systematic name are the same which is called 3-Chlorophenanthrene.
Physical properties about this chemical are: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.27; (4)ACD/LogD (pH 7.4): 5.27; (5)ACD/BCF (pH 5.5): 6009.08; (6)ACD/BCF (pH 7.4): 6009.08; (7)ACD/KOC (pH 5.5): 17638.55; (8)ACD/KOC (pH 7.4): 17638.55; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 66.83 cm3; (15)Molar Volume: 169.6 cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.253 g/cm3; (18)Flash Point: 179.2 °C; (19)Enthalpy of Vaporization: 59.27 kJ/mol; (20)Boiling Point: 370.1 °C at 760 mmHg; (21)Vapour Pressure: 2.42E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)Cl
(2)InChI: InChI=1S/C14H9Cl/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9H
(3)InChIKey: BVFJTESUEYBUOL-UHFFFAOYSA-N