IUPAC Name: (4-nonylphenyl)boronic acid
Molecular Formula: C15H25BO2
Molecular Weight: 248.17 g/mol
Canonical SMILES: OB(O)c1ccc(cc1)CCCCCCCCC
InChI: InChI=1/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
Mol File: 256383-45-6.mol
Nominal Mass: 248
Average Mass: 248.1688
Monoisotopic Mass: 248.194761
H bond acceptors: 2
H bond donors: 2
#Freely Rotating Bonds: 11
Polar Surface Area: 18.46
Index of Refraction: 1.501
Molar Refractivity: 74.96 cm3
Molar Volume: 254.3 cm3
Polarizability: 29.71×10-24cm3
Surface Tension: 37.7 dyne/cm
Density: 0.97 g/cm3
Flash Point: 186.8 °C
Enthalpy of Vaporization: 66.88 kJ/mol
Boiling Point: 385.3 °C at 760 mmHg
Melting Point: 82-85 °C
Vapour Pressure of 4-Nonylphenylboronic acid (CAS NO.256383-45-6): 1.26E-06 mmHg at 25 °C
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
Hazard Note of 4-Nonylphenylboronic acid (CAS NO.256383-45-6): Irritant
4-Nonylphenylboronic acid (CAS NO.256383-45-6), its Synonyms are 4-N-Nonylphenylboronic acid ; 4-N-Nonylbenzeneboronic acid ; 4-N-Nonylbenzeneboronic acid, 98+% .
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