2,4-Ditert-butoxypyrimidin-5-ylboronic acid supplier

Name
2,4-DI(TERT-BUTOXY)PYRIMIDIN-5-YLBORONIC ACID HYDRATE
EINECS 220-753-0
CAS No. 109299-79-8
Density 1.134 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₁BN₂O₄
Boiling Point 431.408 °C at 760 mmHg
Molecular Weight 268.121
Flash Point 214.708 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, [2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]- (9CI);(2,4-Di-tert-butyloxypyrimidin-5-yl)boronic acid;[2,4-Di(tert-butoxy)pyrimidin-5-yl]boronic acid;
PSA 93.93000
LogP 0.44670

2,4-Ditert-butoxypyrimidin-5-ylboronic acid Specification

This chemical is called Boronic acid, B-[2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]-, and its systematic name is (2,4-di-tert-butoxypyrimidin-5-yl)boronic acid. With the molecular formula of C₁₂H₂₁BN₂O₄, its molecular weight is 286.14. The CAS registry number of this chemical is 109299-79-8.

Other characteristics of the Boronic acid, B-[2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]- can be summarised as followings: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): -0.21; (5)ACD/BCF (pH 5.5): 4.94; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 47.27; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 62.7 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 69.41 cm³; (15)Molar Volume: 236.4 cm³; (16)Polarizability: 27.51×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 214.7 °C; (20)Enthalpy of Vaporization: 72.42 kJ/mol; (21)Boiling Point: 431.4 °C at 760 mmHg; (22)Vapour Pressure: 3.29E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O(c1nc(OC(C)(C)C)c(cn1)B(O)O)C(C)(C)C
2.InChI: InChI=1/C12H21BN2O4/c1-11(2,3)18-9-8(13(16)17)7-14-10(15-9)19-12(4,5)6/h7,16-17H,1-6H3
3.InChIKey: SOJAZSRAXNFWRH-UHFFFAOYAB

Product Name

2,4-DI(TERT-BUTOXY)PYRIMIDIN-5-YLBORONIC ACID HYDRATE

2,4-Ditert-butoxypyrimidin-5-ylboronic acid Specification

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