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179942-45-1

Basic Information
CAS No.: 179942-45-1
Name: 6-T-BUTYLDIMETHYSILYLOXY-2-NAPHTHALENEBORONIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 179942-45-1 (6-T-BUTYLDIMETHYSILYLOXY-2-NAPHTHALENEBORONIC ACID)
Formula: C16H23BO3Si
Molecular Weight: 302.253
Synonyms: Boronicacid, [6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]- (9CI);tert-Butyl[[6-(dihydroxyboryl)-2-naphthyl]oxy]dimethylsilane;
Density: 1.07 g/cm3
Melting Point: 244-248 °C
Boiling Point: 414 °C at 760 mmHg
Flash Point: 204.2 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26
PSA: 49.69000
LogP: 2.90360
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Specification

The CAS register number of Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]- is 179942-45-1. It also can be called as tert-Butyl[[6-(dihydroxyboryl)-2-naphthyl]oxy]dimethylsilane and the systematic name about this chemical is (6-{[tert-butyl(dimethyl)silyl]oxy}naphthalen-2-yl)boronic acid. The molecular formula about this chemical is C16H23BO3Si and the molecular weight is 302.25. It belongs to the following product categories which include blocks; BoronicAcids; Aryl; Boronic Acids; Boronic Acids and Derivatives and so on.

Physical properties about Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]- are: (1)ACD/LogP: 1.21; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 27.69 Å2; (6)Index of Refraction: 1.547; (7)Molar Refractivity: 89.12 cm3; (8)Molar Volume: 280.9 cm3; (9)Polarizability: 35.33x10-24cm3; (10)Surface Tension: 36.7 dyne/cm; (11)Density: 1.07 g/cm3; (12)Flash Point: 204.2 °C; (13)Enthalpy of Vaporization: 70.32 kJ/mol; (14)Boiling Point: 414 °C at 760 mmHg; (15)Vapour Pressure: 1.35E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc2c(c1)ccc(O[Si](C(C)(C)C)(C)C)c2
(2)InChI: InChI=1/C16H23BO3Si/c1-16(2,3)21(4,5)20-15-9-7-12-10-14(17(18)19)8-6-13(12)11-15/h6-11,18-19H,1-5H3(3)InChIKey: OJXUSWJSQVIBCP-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H23BO3Si/c1-16(2,3)21(4,5)20-15-9-7-12-10-14(17(18)19)8-6-13(12)11-15/h6-11,18-19H,1-5H3
(5)Std. InChIKey: QJXUSWJSQVIBCP-UHFFFAOYSA-N