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CAS No.: | 605-02-7 |
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Name: | 11 -Phenylnaphthalene |
Article Data: | 694 |
Molecular Structure: | |
Formula: | C16H12 |
Molecular Weight: | 204.271 |
Synonyms: | 1-Phenylnaphthalene;NSC 5257; |
EINECS: | 210-081-6 |
Density: | 1.081 g/cm3 |
Boiling Point: | 336.4 °C at 760 mmHg |
Flash Point: | 148.2 °C |
Appearance: | clear colorless to yellow viscous liquid |
Safety: | 24/25 |
PSA: | 0.00000 |
LogP: | 4.50680 |
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This chemical is called Naphthalene, 1-phenyl-, and its CAS registry number is 605-02-7. With the molecular formula of C16H12, its molecular weight is 204.27. Additionally, its product categories are Arenes; Building Blocks; Organic Building Blocks. In addition, this chemical should be sealed in the cool and dry place. Please avoid contacting with skin and water.
Other characteristics of the Naphthalene, 1-phenyl- can be summarised as followings: (1)ACD/LogP: 5.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.21; (4)ACD/LogD (pH 7.4): 5.21; (5)ACD/BCF (pH 5.5): 5331.52; (6)ACD/BCF (pH 7.4): 5331.52; (7)ACD/KOC (pH 5.5): 16190.95; (8)ACD/KOC (pH 7.4): 16190.95; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 68.68 cm3; (15)Molar Volume: 188.8 cm3; (16)Polarizability: 27.22×10-24cm3; (17)Surface Tension: 43.3 dyne/cm; (18)Density: 1.081 g/cm3; (19)Flash Point: 148.2 °C; (20)Enthalpy of Vaporization: 55.66 kJ/mol; (21)Boiling Point: 336.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000219 mmHg at 25°C.
Production method of this chemical: The Naphthalene, 1-phenyl- could be obtained by the reactant of 4-phenyl-1,2-dihydro-naphthalene. This reaction needs the reagent of sulfur. In addition, this reaction should be taken at 250-270°C.
Uses of this chemical: The 4.4'-Diphenylbinaphthyl-(1.1') could be obtained by the Naphthalene, 1-phenyl-. This reaction needs the reagent of lead tetraacetate, boron trifluoride diethyl etherate, and the solvent of acetonitrile. The yield is 98 %. In addition, this reaction should be taken for 3 hours.
You can still convert the following datas into molecular structure:
1.SMILES: c2cc(c1ccccc1c2)c3ccccc3
2.InChI: InChI=1/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H
3.InChIKey: IYDMICQAKLQHLA-UHFFFAOYAV