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| CAS No.: | 918655-03-5 |
|---|---|
| Name: | 4-(NAPHTHALEN-2-YL)PHENYLBORONIC ACID |
| Molecular Structure: | |
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| Formula: | C16H13BO2 |
| Molecular Weight: | 248.089 |
| Synonyms: | 4-(NAPHTHALEN-2-YL)PHENYLBORONIC ACID ;4-(2-Naphthyl)benzeneboronic acid, 97%;4-(naphthalen-2-yl)phenylboronic;4-(2-Napthyl)phenylboronic acid;4-(2-Naphthyl)phenylboronic Acid (contains varying aMounts of Anhydride);4-(2-naphthyl)phenylboronic acid (2NPBA);4-(2-phthyl)phenylboronic acid;4-(2-Naphthyl)phenylboronic |
| EINECS: | 805-884-9 |
| Density: | 1.23 g/cm3 |
| Boiling Point: | 463 °C at 760 mmHg |
| Flash Point: | 233.8 °C |
| PSA: | 40.46000 |
| LogP: | 2.18660 |
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Specification
The Boronicacid, B-[4-(2-naphthalenyl)phenyl]-, with the cas registry number 918655-03-5, has its IUPAC name of (4-naphthalen-2-ylphenyl)boronic acid. And its systematic name is [4-(2-naphthyl)phenyl]boronic acid.
The characteristics of this chemical are as below: (1)ACD/LogP: 4.58; (2)ACD/LogD (pH 5.5): 4.58; (3)ACD/LogD (pH 7.4): 4.55; (4)#H bond acceptors: 2; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 40.46; (8)Index of Refraction: 1.676; (9)Molar Refractivity: 75.55 cm3; (10)Molar Volume: 200.7 cm3; (11)Polarizability: 29.95 ×10-24 cm3; (12)Surface Tension: 55.8 dyne/cm; (13)Density: 1.23 g/cm3; (14)Flash Point: 233.8 °C; (15)Enthalpy of Vaporization: 76.3 kJ/mol; (16)Boiling Point: 463 °C at 760 mmHg; (17)Vapour Pressure: 2.27E-09 mmHg at 25°C; (18)Exact Mass: 248.10086; (19)MonoIsotopic Mass: 248.10086; (20)Topological Polar Surface Area: 40.5; (21)Heavy Atom Count: 19; (22)Formal Charge: 0; (23)Complexity: 287.
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: B(C1=CC=C(C=C1)C2=CC3=CC=CC=C3C=C2)(O)O
(2)InChI: InChI=1S/C16H13BO2/c18-17(19)16-9-7-13(8-10-16)15-6-5-12-3-1-2-4-14(12)11-15/h1-11,18-19H
(3)InChIKey: ICQAKBYFBIWELX-UHFFFAOYSA-N