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135159-25-0

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Basic Information
CAS No.: 135159-25-0
Name: 2,4,6-TRIMETHOXYBENZENEBORONIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 135159-25-0 (2,4,6-TRIMETHOXYBENZENEBORONIC ACID)
Formula: C9H13BO5
Molecular Weight: 212.01
Synonyms: 1,3,5-trimethoxybenzene-2-bronic ester;Boronicacid, (2,4,6-trimethoxyphenyl)- (9CI);
EINECS: -0
Density: 1.218 g/cm3
Melting Point: 96-100℃
Boiling Point: 413.823 °C at 760 mmHg
Flash Point: 204.073 °C
Solubility: Slightly soluble in water.
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 68.15000
LogP: -0.60780
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  • 2,4,6-Trimethoxyphenylboronic acid

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Chemistry

IUPAC Name: (2,4,6-Trimethoxyphenyl)boronic acid 
Following is the structure of 2,4,6-Trimethoxyphenylboronic Acid (CAS NO.135159-25-0):
                             
Empirical Formula: C9H13BO5
Molecular Weight: 212.0075 g/mol
Molar Refractivity: 52.38 cm3
Molar Volume: 174 cm3
Density: 1.21 g/cm3
Flash Point: 204.1 °C
Index of Refraction: 1.513
Surface Tension: 43.6 dyne/cm
Enthalpy of Vaporization: 70.29 kJ/mol
Boiling Point of 2,4,6-Trimethoxyphenylboronic Acid (CAS NO.135159-25-0): 413.8 °C at 760 mmHg
Vapour Pressure of 2,4,6-Trimethoxyphenylboronic Acid (CAS NO.135159-25-0): 1.37E-07 mmHg at 25 °C
Canonical SMILES: B(C1=C(C=C(C=C1OC)OC)OC)(O)O
InChI: InChI=1S/C9H13BO5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5,11-12H,1-3H3
InChIKey: PKLRXZVPEQJTTJ-UHFFFAOYSA-N

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

Specification

 2,4,6-Trimethoxyphenylboronic Acid , its cas register number is 135159-25-0. It also can be called Boronic acid, B-(2,4,6-trimethoxyphenyl)- .