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22871-75-6

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Basic Information
CAS No.: 22871-75-6
Name: NAPHTHALENE-1,4-DIBORONIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 22871-75-6 (NAPHTHALENE-1,4-DIBORONIC ACID)
Formula: C10H10B2O4
Molecular Weight: 215.809
Synonyms: 1,4-Naphthalenediboronicacid (8CI);Boronic acid, 1,4-naphthalenediylbis- (9CI);
Density: 1.367 g/cm3
Melting Point: >300 °C
Boiling Point: 514.229 °C at 760 mmHg
Flash Point: 264.796 °C
PSA: 80.92000
LogP: -1.80060
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Specification

The Boronic acid,1,1'-(1,4-naphthalenediyl)bis-, with the CAS registry number 22871-75-6, is also known as 1,4-Naphthalenediboronicacid (8CI). This chemical's molecular formula is C10H10B2O4 and molecular weight is 215.806. What's more, its systematic name is Naphthalene-1,4-diyldiboronic acid.

Physical properties about Boronic acid,1,1'-(1,4-naphthalenediyl)bis- are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 27; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 369; (8)ACD/KOC (pH 7.4): 277; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 80.92 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 57.381 cm3; (15)Molar Volume: 157.911 cm3; (16)Polarizability: 22.748×10-24 cm3; (17)Surface Tension: 61.91 dyne/cm; (18)Density: 1.367 g/cm3; (19)Flash Point: 264.796 °C; (20)Enthalpy of Vaporization: 82.736 kJ/mol; (21)Boiling Point: 514.229 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c2c1ccccc1c(cc2)B(O)OCopy
(2) InChI: InChI=1/C10H10B2O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6,13-16H
(3) InChIKey: UQQNPIILEFDCRF-UHFFFAOYAY