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121219-12-3

Basic Information
CAS No.: 121219-12-3
Name: 4-Pentylbenzeneboronic acid
Molecular Structure:
Molecular Structure of 121219-12-3 (4-Pentylbenzeneboronic acid)
Formula: C11H17BO2
Molecular Weight: 192.06
Synonyms: Boronicacid, (4-pentylphenyl)- (9CI);Boronic acid,B-(4-pentylphenyl)-;(4-n-Pentylphenyl)boronic acid;
EINECS:
Density: 1.01 g/cm3
Melting Point: 290-295 °C(lit.)
Boiling Point: 328 °C at 760 mmHg
Flash Point: 152.2 °C
Solubility:
Appearance: tan powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 40.46000
LogP: 1.09910
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Chemistry

Structure of 4-Pentylbenzeneboronic acid (CAS NO.121219-12-3):

IUPAC Name: (4-Pentylphenyl)boronic acid
Empirical Formula: C11H17BO2
Molecular Weight: 192.0625 g/mol
Index of Refraction: 1.509
Molar Refractivity: 56.43 cm3
Molar Volume: 188.9 cm3
Surface Tension: 38.3 dyne/cm
Density: 1.01 g/cm3 
Melting Point: 290-295 °C(lit.)
Flash Point: 152.2 °C
Enthalpy of Vaporization: 60.21 kJ/mol
Boiling Point: 328 °C at 760 mmHg
Vapour Pressure: 7.85E-05 mmHg at 25 °C 
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 5
Exact Mass: 192.13216
MonoIsotopic Mass: 192.13216
Topological Polar Surface Area: 40.5
Heavy Atom Count: 14 
Canonical SMILES: B(C1=CC=C(C=C1)CCCCC)(O)O
InChI: InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3
InChIKey: UZRMPSOGFATLJE-UHFFFAOYSA-N
Product Categories: Fluorin-contained phenyl boronic acid series; blocks; BoronicAcids; Boronic Acid series; Fluoro-Aromatics; Substituted Boronic Acids; Boronic Acid; Aryl; Fluorinated; Organoborons; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids

Uses

 4-Pentylbenzeneboronic acid (CAS NO.121219-12-3) is used as intermediates of liquid crystals.

Safety Profile

Hazard Codes: IrritantXi
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: Irritant
HazardClass: IRRITANT

Specification

 4-Pentylbenzeneboronic acid (CAS NO.121219-12-3) also can be called (4-Pentylphenyl)boronic acid ; Boronic acid, B-(4-pentylphenyl)- ; 4-n-Amylbenzeneboronic acid . 4-Pentylbenzeneboronic acid (CAS NO.121219-12-3) is tan powder.