Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Aminopyrimidine-5-boronic acid |
EINECS | N/A |
CAS No. | 936250-22-5 | Density | 1.443 g/cm3 |
PSA | 92.26000 | LogP | -1.68020 |
Solubility | N/A | Melting Point |
206-211 °C |
Formula | C4H6BN3O2 | Boiling Point | 486.995 °C at 760 mmHg |
Molecular Weight | 138.922 | Flash Point | 248.326 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(2-Amino-5-pyrimidinyl)boronic acid;Boronic acid, B-(2-amino-5-pyrimidinyl)-;(2-Aminopyrimidin-5-yl)boronic acid; |
Article Data | 6 |
The 2-Aminopyrimidine-5-boronic acid, with the CAS registry number 936250-22-5, is also known as (2-Aminopyrimidin-5-yl)boronic acid. This chemical's molecular formula is C4H6BN3O2 and molecular weight is 138.92. What's more, its systematic name is (2-Amino-5-pyrimidinyl)boronic acid.
Physical properties of 2-Aminopyrimidine-5-boronic acid are: (1)ACD/LogP: -0.849; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.15; (4)ACD/LogD (pH 7.4): -3.98; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 92.26 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 32.503 cm3; (15)Molar Volume: 96.294 cm3; (16)Polarizability: 12.885×10-24cm3; (17)Surface Tension: 83.13 dyne/cm; (18)Density: 1.443 g/cm3; (19)Flash Point: 248.326 °C; (20)Enthalpy of Vaporization: 79.291 kJ/mol; (21)Boiling Point: 486.995 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cnc(N)nc1
(2)Std. InChI: InChI=1S/C4H6BN3O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H,(H2,6,7,8)
(3)Std. InChIKey: CGHYQZASLKERLV-UHFFFAOYSA-N