2-Aminopyrimidine-5-boronic acid pinacol ester supplier

Name
2-AMINOPYRIMIDINE-5-BORONIC ACID, PINACOL ESTER
EINECS
CAS No. 402960-38-7
Article Data29
CAS DataBase
Density 1.13 g/cm³
Solubility Slightly soluble in water. Soluble in chloroform.
Melting Point 209-211 °C
Formula C₁₀H₁₆BN₃O₂
Boiling Point 394.8 °C at 760 mmHg
Molecular Weight 221.067
Flash Point 192.6 °C
Transport Information
Appearance
Safety 26-36/39
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn
Synonyms (2-Aminopyrimidin-5-yl)boronic acid pinacol ester;2-(2-Aminopyrimidin-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-amine;[5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrimidin-2-yl]amine;
PSA 70.26000
LogP 0.93920

2-Aminopyrimidine-5-boronic acid pinacol ester Specification

The CAS register number of 2-Pyrimidinamine,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is 402960-38-7. It also can be called as 2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine and the IUPAC name about this chemical is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine. The molecular formula about this chemical is C₁₀H₁₆BN₃O₂ and the molecular weight is 221.06. It belongs to the following product categories which include Heterocyclic Compounds; Amino; Organoborons; Pyrimidine and so on.

Physical properties about 2-Pyrimidinamine,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 5; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 70.26Å²; (5)Index of Refraction: 1.515; (6)Molar Refractivity: 58.67 cm³; (7)Molar Volume: 194.3 cm³; (8)Polarizability: 23.25x10^-24cm³; (9)Surface Tension: 44.1 dyne/cm; (10)Flash Point: 192.6 °C; (11)Enthalpy of Vaporization: 64.49 kJ/mol; (12)Boiling Point: 394.8 °C at 760 mmHg; (13)Vapour Pressure: 1.93E-06 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2cnc(N)nc2
(2)InChI: InChI=1/C10H16BN3O2/c1-9(2)10(3,4)16-11(15-9)7-5-13-8(12)14-6-7/h5-6H,1-4H3,(H2,12,13,14)
(3)InChIKey: BPQVMIDUTRJYSC-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H16BN3O2/c1-9(2)10(3,4)16-11(15-9)7-5-13-8(12)14-6-7/h5-6H,1-4H3,(H2,12,13,14)
(5)Std. InChIKey: BPQVMIDUTRJYSC-UHFFFAOYSA-N

Product Name

2-AMINOPYRIMIDINE-5-BORONIC ACID, PINACOL ESTER

2-Aminopyrimidine-5-boronic acid pinacol ester Specification

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