The Structure of 2-Isopropylphenylboronic acid (CAS NO.89787-12-2):
IUPAC Name: (2-Propan-2-ylphenyl)boronic acid
Molecular Weight: 164.00932 g/mol
Molecular Formula: C9H13BO2
Density: 1.04 g/cm3
Melting Point: 85-86 °C
Boiling Point: 297.2 °C at 760 mmHg
Flash Point: 133.5 °C
Index of Refraction: 1.513
Molar Refractivity: 47.14 cm3
Molar Volume: 156.7 cm3
Surface Tension: 37.5 dyne/cm
Enthalpy of Vaporization: 56.71 kJ/mol
Vapour Pressure: 0.000616 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 164.10086
MonoIsotopic Mass: 164.10086
Topological Polar Surface Area: 40.5
Heavy Atom Count: 12
Canonical SMILES: B(C1=CC=CC=C1C(C)C)(O)O
InChI: InChI=1S/C9H13BO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7,11-12H,1-2H3
InChIKey: KTZUVUWIBZMHMC-UHFFFAOYSA-N
Product Categories: ISOPROPYL; blocks; BoronicAcids; Boronic acids; Boronic acid
Hazard Codes: Xi
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39-36
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
36: Wear suitable protective clothing
Hazard Note: Irritant
2-Isopropylphenylboronic acid (CAS NO.89787-12-2) is also named as Boronic acid,B-[2-(1-methylethyl)phenyl]- ; Boronicacid, [2-(1-methylethyl)phenyl]- (9CI) ; 2-Isopropylbenzeneboronic acid ; o-Cumylboronic acid . 2-Isopropylphenylboronic acid (CAS NO.89787-12-2) is off-white crystal.
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