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

3-Tolylboronic acid

Related Products

Hot Products

Name

3-Tolylboronic acid

EINECS -0
CAS No. 17933-03-8 Density 1.1 g/cm3
PSA 40.46000 LogP -0.32520
Solubility Slightly soluble in water Melting Point 160-162 °C(lit.)
Formula C7H9BO2 Boiling Point 290.4 °C at 760 mmHg
Molecular Weight 135.958 Flash Point 129.4 °C
Transport Information N/A Appearance off-white crystal
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 17933-03-8 (3-Tolylboronic acid) Hazard Symbols IrritantXi
Synonyms

m-tolylboronic acid;3-Methylphenyl boronic acid;3(or4,or2)-Methyl (or R) Phenyl boronic acid;3-Methylphenylboronic acid, 3-Tolylboronic acid, m-Tolylboronic acid;3-Methylpenylboronic acid;3-Tolyl boronic acid;

Article Data 22

3-Tolylboronic acid Specification

The 3-Tolylboronic acid, with the CAS registry number 17933-03-8, is also known as 3-Methylphenyl boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Boronic Acid series; Boron, Nitrile, Thio,& TM-Cpds; Substituted Boronic Acids; Aryl; Organoborons; B (Classes of Boron Compounds); Chiral Chemicals; Organic or Inorganic Borate. This chemical's molecular formula is C7H9BO2 and molecular weight is 135.96. What's more, its systematic name is (3-methylphenyl)boronic acid. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of 3-Tolylboronic acid are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 21.24; (6)ACD/BCF (pH 7.4): 20.06; (7)ACD/KOC (pH 5.5): 310.11; (8)ACD/KOC (pH 7.4): 292.94; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 37.91 cm3; (15)Molar Volume: 123.1 cm3; (16)Polarizability: 15.02×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 129.4 °C; (20)Enthalpy of Vaporization: 55.95 kJ/mol; (21)Boiling Point: 290.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000954 mmHg at 25°C.

Uses of 3-Tolylboronic acid: it can be used to produce 5-m-tolyl-nicotinic acid methyl ester at the temperature of 100 °C. It will need reagent NEt3 and solvent dimethylformamide with the reaction time of 3 hours. The yield is about 98%.

3-Tolylboronic acid can be used to produce 5-m-tolyl-nicotinic acid methyl ester at the temperature of 100 °C

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cccc(c1)C
(2)Std. InChI: InChI=1S/C7H9BO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5,9-10H,1H3
(3)Std. InChIKey: BJQCPCFFYBKRLM-UHFFFAOYSA-N

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 17933-03-8