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Propylboronic acid

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Propylboronic acid

EINECS -0
CAS No. 17745-45-8 Density 0.925 g/cm3
PSA 40.46000 LogP -0.13080
Solubility N/A Melting Point 105-108 °C
Formula C3H9BO2 Boiling Point 170.8 °C at 760 mmHg
Molecular Weight 87.9143 Flash Point 57.1 °C
Transport Information N/A Appearance White to light yellow crystal powder
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 17745-45-8 (Propylboronic acid) Hazard Symbols IrritantXi
Synonyms

n-Propylboronic acid;1-Propaneboronic acid;Boronic acid,propyl-;

Article Data 24

Propylboronic acid Specification

The Propylboronic acid is an organic compound with the formula C3H9BO2. The IUPAC name of this chemical is propylboronic acid. With the CAS registry number 17745-45-8, it is also named as Boronic acid, B-propyl-. The product's categories are API Intermediates; Alkyl; Organoborons; Chiral Chemicals. Besides, it is a white to light yellow crystal powder, which should be stored in a closed dark and dry place.

Physical properties about Propylboronic acid are: (1)ACD/LogP: 0.90; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 18.46 Å2; (6)Index of Refraction: 1.388; (7)Molar Refractivity: 22.44 cm3; (8)Molar Volume: 95 cm3; (9)Polarizability: 8.89×10-24cm3; (10)Surface Tension: 29.7 dyne/cm; (11)Density: 0.925 g/cm3; (12)Flash Point: 57.1 °C; (13)Enthalpy of Vaporization: 47.42 kJ/mol; (14)Boiling Point: 170.8 °C at 760 mmHg; (15)Vapour Pressure: 0.461 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of 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)CCC
(2)InChI: InChI=1/C3H9BO2/c1-2-3-4(5)6/h5-6H,2-3H2,1H3
(3)InChIKey: JAQOMSTTXPGKTN-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C3H9BO2/c1-2-3-4(5)6/h5-6H,2-3H2,1H3
(5)Std. InChIKey: JAQOMSTTXPGKTN-UHFFFAOYSA-N

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