Boronic acid,B-(2,4,5-trimethylphenyl)- supplier

Name
2,4,5-TRIMETHYLPHENYLBORONIC ACID
EINECS
CAS No. 352534-80-6
Density 1.05 g/cm³
Solubility
Melting Point 180-190 ºC
Formula C₉H₁₃BO₂
Boiling Point 319.5 °C at 760 mmHg
Molecular Weight 164.012
Flash Point 147 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, (2,4,5-trimethylphenyl)- (9CI);[2,4,5-Trimethylphenyl]boronic acid;
PSA 40.46000
LogP 0.29160

Boronic acid,B-(2,4,5-trimethylphenyl)- Specification

The Boronic acid,B-(2,4,5-trimethylphenyl)-, with the CAS registry number 352534-80-6, is also known as Boronic acid, (2,4,5-trimethylphenyl)- (9CI). It belongs to the product categories of Boronicacid; blocks; Aryl; Boronic Acids and Derivatives. This chemical's molecular formula is C₉H₁₃BO₂ and molecular weight is 164.01. What's more, both its IUPAC name and systematic name are the same which is called (2,4,5-Trimethylphenyl)boronic acid.

Physical properties about Boronic acid,B-(2,4,5-trimethylphenyl)- are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 106.33; (6)ACD/BCF (pH 7.4): 103.56; (7)ACD/KOC (pH 5.5): 982.34; (8)ACD/KOC (pH 7.4): 956.74; (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: 1.519; (14)Molar Refractivity: 47.15 cm³; (15)Molar Volume: 155.2 cm³; (16)Polarizability: 18.69×10^-24cm³; (17)Surface Tension: 38.4 dyne/cm; (18)Density: 1.05 g/cm³; (19)Flash Point: 147 °C; (20)Enthalpy of Vaporization: 59.23 kJ/mol; (21)Boiling Point: 319.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000141 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1c(cc(c(c1)C)C)C
(2) InChI: InChI=1/C9H13BO2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5,11-12H,1-3H3
(3) InChIKey: NNQHKSYWLLYOHI-UHFFFAOYAR

Product Name

2,4,5-TRIMETHYLPHENYLBORONIC ACID

Boronic acid,B-(2,4,5-trimethylphenyl)- Specification

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