Boronic acid,B-(4-ethoxy-3,5-dimethylphenyl)- supplier

Name
3,5-DIMETHYL-4-ETHOXYPHENYLBORONIC ACID
EINECS
CAS No. 850568-59-1
Density 1.09 g/cm³
Solubility
Melting Point 206-211 °C
Formula C₁₀H₁₅BO₃
Boiling Point 348.028 °C at 760 mmHg
Molecular Weight 194.04
Flash Point 164.281 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (4-ethoxy-3,5-dimethylphenyl)- (9CI);4-Ethoxy-3,5-dimethylphenylboronic acid;3,5-Dimethyl-4-ethoxybenzeneboronic acid;
PSA 49.69000
LogP 0.38190

Boronic acid,B-(4-ethoxy-3,5-dimethylphenyl)- Specification

The systematic name of Boronic acid,B-(4-ethoxy-3,5-dimethylphenyl)- is (4-ethoxy-3,5-dimethylphenyl)boronic acid. With the CAS registry number 850568-59-1, it is also named as 3,5-Dimethyl-4-ethoxybenzeneboronic acid. The product's categories are Blocks; Boronic Acids. It should be stored in cold place. In addition, its molecular formula is C₁₀H₁₅BO₃ and its molecular weight is 194.04.

The other characteristics of Boronic acid,B-(4-ethoxy-3,5-dimethylphenyl)- can be summarized as: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 104; (6)ACD/BCF (pH 7.4): 102; (7)ACD/KOC (pH 5.5): 966; (8)ACD/KOC (pH 7.4): 948; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.69 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 53.531 cm³; (15)Molar Volume: 177.955 cm³; (16)Polarizability: 21.221×10^-24cm³; (17)Surface Tension: 39.791 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 164.281 °C; (20)Melting Point: 206-211 °C; (21)Enthalpy of Vaporization: 62.514 kJ/mol; (22)Boiling Point: 348.028 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CCOc1c(C)cc(cc1C)B(O)O
(2)InChI: InChI=1/C10H15BO3/c1-4-14-10-7(2)5-9(11(12)13)6-8(10)3/h5-6,12-13H,4H2,1-3H3
(3)InChIKey: FMJASQDMWVBTOJ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H15BO3/c1-4-14-10-7(2)5-9(11(12)13)6-8(10)3/h5-6,12-13H,4H2,1-3H3
(5)Std. InChIKey: FMJASQDMWVBTOJ-UHFFFAOYSA-N

Product Name

3,5-DIMETHYL-4-ETHOXYPHENYLBORONIC ACID

Boronic acid,B-(4-ethoxy-3,5-dimethylphenyl)- Specification

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