Product Name

  • Name

    4-PROPOXYCARBONYLPHENYLBORONIC ACID

  • EINECS
  • CAS No. 91062-38-3
  • Density 1.18g/cm3
  • Solubility
  • Melting Point 108-112°C
  • Formula C10H13BO4
  • Boiling Point 366.42 °C at 760 mmHg
  • Molecular Weight 208.02
  • Flash Point 175.405 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 91062-38-3 (4-PROPOXYCARBONYLPHENYLBORONIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms PROPYL 4-BORONOBENZOATE;(4-PROPOXYCARBONYL)BENZENEBORONIC ACID;4-PROPOXYCARBONYLPHENYLBORONIC ACID;AKOS BRN-0775;4-(Propoxycarbonyl)benzeneboronic acid 97%;(4-n-Propoxycarbonyl)benzeneboronic acid, 97%;4-Boronobenzoate
  • PSA 66.76000
  • LogP -0.06680

Benzoic acid,p-borono-, 1-propyl ester (7CI) Specification

The Benzoic acid,p-borono-, 1-propyl ester (7CI), with CAS registry number 91062-38-3, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Carboxes. It has the systematic name of [4-(propoxycarbonyl)phenyl]boronic acid. The chemical formula of this chemical is C10H13BO4.

Physical properties of Benzoic acid,p-borono-, 1-propyl ester (7CI): (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 58; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 640; (8)ACD/KOC (pH 7.4): 515; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 66.76 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 53.663 cm3; (15)Molar Volume: 175.938 cm3; (16)Polarizability: 21.274×10-24cm3; (17)Surface Tension: 45.014 dyne/cm; (18)Enthalpy of Vaporization: 64.657 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzoic acid,p-borono-, 1-propyl ester (7CI) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1ccc(cc1)C(=O)OCCC
(2)InChI: InChI=1/C10H13BO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h3-6,13-14H,2,7H2,1H3
(3)InChIKey: XJEONFAJOXSZDX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H13BO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h3-6,13-14H,2,7H2,1H3
(5)Std. InChIKey: XJEONFAJOXSZDX-UHFFFAOYSA-N

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