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CAS No.: | 947-72-8 |
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Name: | 9-CHLOROPHENANTHRENE |
Article Data: | 30 |
Molecular Structure: | |
Formula: | C14H9Cl |
Molecular Weight: | 212.678 |
Synonyms: | 10-Chlorophenanthrene;9-Chlorophenanthrene;NSC 8552; |
EINECS: | 213-430-0 |
Density: | 1.253 g/cm3 |
Melting Point: | 46-50 °C |
Boiling Point: | 370.1 °C at 760 mmHg |
Flash Point: | 179.2 °C |
Appearance: | light yellow fluffy powder |
Safety: | 24/25 |
PSA: | 0.00000 |
LogP: | 4.64640 |
The 9-Chlorophenanthrene is an organic compound with the formula C14H9Cl. The systematic name of this chemical is 9-chlorophenanthrene. With the CAS registry number 947-72-8, it is also named as phenanthrene, 9-chloro-. The product's classification code is Mutation data. Besides, it is a light yellow fluffy powder, which should be stored in a closed cool and dry place.
Physical properties about 9-Chlorophenanthrene 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)Index of Refraction: 1.717; (10)Molar Refractivity: 66.83 cm3; (11)Molar Volume: 169.6 cm3; (12)Polarizability: 26.49×10-24cm3; (13)Surface Tension: 49.9 dyne/cm; (14)Density: 1.253 g/cm3; (15)Flash Point: 179.2 °C; (16)Enthalpy of Vaporization: 59.27 kJ/mol; (17)Boiling Point: 370.1 °C at 760 mmHg; (18)Vapour Pressure: 2.42E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by phenanthrene. This reaction will need reagent NaBiO3, ZnCl2 and solvent acetic acid. The reaction time is 30 min with reaction temperature of 20 °C. The yield is about 76%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc3c(c1c2cccc1)cccc3
(2)InChI: InChI=1/C14H9Cl/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
(3)InChIKey: CJWHZQNUDAJJSB-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H9Cl/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
(5)Std. InChIKey: CJWHZQNUDAJJSB-UHFFFAOYSA-N