Boronic acid, [2-[(2-methylphenoxy)methyl]phenyl]- (9CI) supplier

Name
2-[(2-METHYLPHENOXY)METHYL]BENZENEBORONIC ACID
EINECS
CAS No. 170924-68-2
Density 1.17g/cm³
Solubility
Melting Point
Formula C₁₄H₁₅BO₃
Boiling Point 433 °C at 760 mmHg
Molecular Weight 242.08
Flash Point 215.7 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-[(2-METHYLPHENOXY)METHYL]BENZENEBORONIC ACID;2-[(2-METHYLPHENOXY)METHYL]PHENYLBORONIC ACID
PSA 49.69000
LogP 1.25380

Boronic acid, [2-[(2-methylphenoxy)methyl]phenyl]- (9CI) Specification

The Boronic acid, [2-[(2-methylphenoxy)methyl]phenyl]- (9CI), with CAS registry number 170924-68-2, has the systematic name of {2-[(2-methylphenoxy)methyl]phenyl}boronic acid. This chemical is may cause inflammation to the skin or other mucous membranes. And the chemical formula of this chemical is C₁₄H₁₅BO₃.

Physical properties of Boronic acid, [2-[(2-methylphenoxy)methyl]phenyl]- (9CI): (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 331.73; (6)ACD/BCF (pH 7.4): 305.11; (7)ACD/KOC (pH 5.5): 2217.4; (8)ACD/KOC (pH 7.4): 2039.44; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 68.99 cm³; (15)Molar Volume: 205.5 cm³; (16)Polarizability: 27.34×10^-24cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 215.7 °C; (20)Enthalpy of Vaporization: 72.61 kJ/mol; (21)Boiling Point: 433 °C at 760 mmHg; (22)Vapour Pressure: 2.89E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1C)Cc2ccccc2B(O)O
(2)InChI: InChI=1/C14H15BO3/c1-11-6-2-5-9-14(11)18-10-12-7-3-4-8-13(12)15(16)17/h2-9,16-17H,10H2,1H3
(3)InChIKey: USBHMYSLYGTHQY-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C14H15BO3/c1-11-6-2-5-9-14(11)18-10-12-7-3-4-8-13(12)15(16)17/h2-9,16-17H,10H2,1H3
(5)Std. InChIKey: USBHMYSLYGTHQY-UHFFFAOYSA-N

Product Name

2-[(2-METHYLPHENOXY)METHYL]BENZENEBORONIC ACID

Boronic acid, [2-[(2-methylphenoxy)methyl]phenyl]- (9CI) Specification

Related Products

Hot Products