Product Name

  • Name

    3-(propoxycarbonyl)phenylboronic acid

  • EINECS
  • CAS No. 850568-78-4
  • Density 1.182g/cm3
  • Solubility
  • Melting Point 104-108
  • Formula C10H13 B O4
  • Boiling Point 378.283°C at 760 mmHg
  • Molecular Weight 208.02
  • Flash Point 182.579°C
  • Transport Information
  • Appearance
  • Safety
    Hazard Codes Xi
    Hazard Note Irritant/Keep Cold
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 850568-78-4 (3-(propoxycarbonyl)phenylboronic acid)
  • Hazard Symbols
  • Synonyms PROPYL 3-BORONOBENZOATE;(3-PROPOXYCARBONYL)BENZENEBORONIC ACID;3-(PROPOXYCARBONYL)PHENYLBORONIC ACID;AKOS BRN-0774;3-(Propoxycarbonyl)Phenylboron;3-(Propoxycarbonyl)benzeneboronic acid 97%
  • PSA 66.76000
  • LogP -0.06680

3-(Propoxycarbonyl)phenylboronic acid Chemical Properties


Systematic Name: [3-(Propoxycarbonyl)phenyl]boronic acid
SMILES: OB(O)c1cc(ccc1)C(=O)OCCC
InChI: InChI=1/C10H13BO4/c1-2-6-15-10(12)8-4-3-5-9(7-8)11(13)14/h3-5,7,13-14H,2,6H2,1H3
InChIKey: BSCFVVVAJINDLA-UHFFFAOYAO 
Empirical Formula: C10H13BO4
Molecular Weight: 208.0188
Nominal Mass: 208
Average Mass: 208.0188
Monoisotopic Mass: 208.09069 
H bond acceptors: 4
H bond donors: 2
Freely Rotating Bonds: 7
Index of Refraction: 1.522
Molar Refractivity: 53.663 cm3
Molar Volume: 175.938 cm3
Surface Tension: 45.014 dyne/cm
Density: 1.182 g/cm3
Flash Point: 182.579 °C
Enthalpy of Vaporization: 66.052 kJ/mol
Boiling Point: 378.283 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25 °C 
storage temp.: Keep Cold
Melting Point: 104-108 °C
Product Categories of 3-(Propoxycarbonyl)phenylboronic acid (CAS NO.850568-78-4): blocks;BoronicAcids;Carboxes;Boronic acid

3-(Propoxycarbonyl)phenylboronic acid Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant/Keep Cold
HazardClass of 3-(Propoxycarbonyl)phenylboronic acid (CAS NO.850568-78-4): IRRITANT, KEEP COLD

3-(Propoxycarbonyl)phenylboronic acid Specification

 3-(Propoxycarbonyl)phenylboronic acid (CAS NO.850568-78-4), its Synonyms are 3-(Propoxycarbonyl)benzeneboronic acid 97% ; 3-Boronobenzoate ; Benzoic acid, 3-borono-, propyl ester ; Propyl 3-boronobenzoate .

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