Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

5-Indolylboronic acid

Related Products

Hot Products

Name

5-Indolylboronic acid

EINECS N/A
CAS No. 144104-59-6 Density 1.33 g/cm3
PSA 56.25000 LogP -0.15230
Solubility N/A Melting Point 170-175 °C
Formula C8H8BNO2 Boiling Point 433.2 °C at 760 mmHg
Molecular Weight 160.968 Flash Point 215.8 °C
Transport Information N/A Appearance White to light yellow crystal powder
Safety 26-36/37/39 Risk Codes 21/22-36/37/38
Molecular Structure Molecular Structure of 144104-59-6 (5-Indolylboronic acid) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

Boronicacid, 1H-indol-5-yl- (9CI);1H-Indol-5-ylboronic acid;1H-Indole-5-boronicacid;Indole-5-boronic acid;1H-indol-5-ylboronic acid;Acide 1H-indol-5-ylboronique;Boronic acid, B-1H-indol-5-yl-;

Article Data 11

5-Indolylboronic acid Specification

The 5-Indolylboronic acid, with the CAS registry number 144104-59-6, has the systematic name of 1H-indol-5-ylboronic acid. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Blocks; Boronic Acids; Indoles Oxindoles; Indoles and derivatives; Heterocyclic Compounds; Indole; Organoborons. It is a kind of air sensitive chemical, and should be  sealed and stored under 4°C. And the molecular formula of this chemical is C8H8BNO2. What's more, it is usually used as medicine intermediate.

The physical properties of 5-Indolylboronic acid are as followings: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.32; (6)ACD/BCF (pH 7.4): 8.04; (7)ACD/KOC (pH 5.5): 158.53; (8)ACD/KOC (pH 7.4): 153.23; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.39 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 44.77 cm3; (15)Molar Volume: 120.9 cm3; (16)Polarizability: 17.74×10-24cm3; (17)Surface Tension: 60.9 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 215.8 °C; (20)Enthalpy of Vaporization: 72.64 kJ/mol; (21)Boiling Point: 433.2 °C at 760 mmHg; (22)Vapour Pressure: 2.83E-08 mmHg at 25°C.

Uses of 5-Indolylboronic acid: It can react with 2-bromo-furan to produce 5-(2-furyl)indole. This reaction will need reagents tetrakis(triphenylphosphine)palladium(0) and aq. NaHCO3, and the solvent 1,2-dimethoxy-ethane. The reaction time is 4 hours with heating, and the yield is about 82%. 

5-Indolylboronic acid can react with 2-bromo-furan to produce 5-(2-furyl)indole

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting 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)c1cc2c(cc1)ncc2
(2)InChI: InChI=1/C8H8BNO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10-12H
(3)InChIKey: VHADYSUJZAPXOW-UHFFFAOYAC

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 144104-59-6