2-Aminopyrimidine-5-boronic acid supplier

Name
2-Amino-pyrimidine-5-boronic acid
EINECS
CAS No. 936250-22-5
Article Data6
CAS DataBase
Density 1.443 g/cm³
Solubility
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
Appearance
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;
PSA 92.26000
LogP -1.68020

2-Aminopyrimidine-5-boronic acid Specification

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

Product Name

2-Amino-pyrimidine-5-boronic acid

2-Aminopyrimidine-5-boronic acid Specification

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