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Basic information

  • Name:
  • 2,5-Dimethylphenylboronic acid

  • CAS No.:
  • 85199-06-0

  • Molecular Structure:
  • Formula:
  • C8H11BO2
  • Molecular Weight:
  • 149.98
  • Synonyms:
  • 2,5-Dimethylbenzeneboronic acid;2,5-Dimethylbenzene boronic acid;
  • Density:
  • 1.07 g/cm3
  • Melting Point:
  • 186-191 °C(lit.)
  • Boiling Point:
  • 305.1 °C at 760 mmHg
  • Flash Point:
  • 138.3 °C
  • Appearance:
  • white to light yellow crystal powder
  • Hazard Symbols:
  • HarmfulXn, IrritantXi
  • Risk Codes:
  • 36/37/38-22
  • Safety Description:
  • 37/39-26-36/37 Details

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Chemistry


IUPAC Name: (2,5-Dimethylphenyl)boronic acid
Canonical SMILES: B(C1=C(C=CC(=C1)C)C)(O)O
InChI: InChI=1S/C8H11BO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5,10-11H,1-2H3
InChIKey: OOMZKLJLVGQZGV-UHFFFAOYSA-N
Molecular Weight: 149.98274 [g/mol]
Molecular Formula: C8H11BO2
H-Bond Donor: 2
H-Bond Acceptor: 2 
storage temp.: 0-6 °C 
Appearance: white to light yellow crystal powder
Melting Point: 186-191 °C(lit.)
Index of Refraction: 1.523
Molar Refractivity: 42.53 cm3
Molar Volume: 139.2 cm3
Surface Tension: 39.1 dyne/cm
Density: 1.07 g/cm3
Flash Point: 138.3 °C
Enthalpy of Vaporization: 57.6 kJ/mol
Boiling Point: 305.1 °C at 760 mmHg
Vapour Pressure: 0.000367 mmHg at 25 °C
Product Categories of 2,5-Dimethylphenylboronic acid (CAS NO.85199-06-0): blocks; BoronicAcids; Boric Acid; Heterocyclic Compounds; Boronic Acid; Aryl; Organoborons; B (Classes of Boron Compounds); Boronic Acids; Boronic Acids; Boronic Acids and Derivatives

Uses

 2,5-Dimethylphenylboronic acid (CAS NO.85199-06-0) is mainly used as a pharmaceutical intermediate in organic synthesis. 2,5-Dimethylphenylboronic acid is also used to make organic reagents.

Safety Profile

Hazard Codes: Xn,IrritantXi
Risk Statements: 36/37/38-22
36/37/38: Irritating to eyes, respiratory system and skin
22: Harmful if swallowed 
Safety Statements: 37/39-26-36/37
37/39: Wear suitable gloves and eye/face protection 
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36/37: Wear suitable protective clothing and gloves 
WGK Germany: 3
Hazard Note of  2,5-Dimethylphenylboronic acid (CAS NO.85199-06-0): Irritant

Specification

  2,5-Dimethylphenylboronic acid (CAS NO.85199-06-0), its Synonyms are 3-(Morpholino)phenylboronic acid HCl ; 2,5-Dimethylbenzeneboronic acid ; 2,5-Dimethylbenzene boronic acid ; Boronic acid, B-(2,5-dimethylphenyl)- .

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