CAS No.852362-24-4,PYRIMIDIN-4-YLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	852362-24-4
Name:	PYRIMIDIN-4-YLBORONIC ACID

Formula:	C₄H₅BN₂O₂
Molecular Weight:	123.907
Synonyms:	Boronicacid, 4-pyrimidinyl- (9CI);Pyrimidin-4-ylboronic acid;
Density:	1.33 g/cm³
Boiling Point:	334.7 °C at 760 mmHg
Flash Point:	156.2 °C
PSA:	66.24000
LogP:	-1.84360

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Specification

The Boronic acid,B-4-pyrimidinyl-, with the CAS registry number 852362-24-4, is also known as Pyrimidine-4-boronic acid. It belongs to the product category of Pyridines. This chemical's molecular formula is C₄H₅BN₂O₂ and molecular weight is 123.91. What's more, both its IUPAC name and systematic name are the same which is called Pyrimidin-4-ylboronic acid.

Physical properties about Boronic acid,B-4-pyrimidinyl- are: (1) # of Rule of 5 Violations: 0; (2) #H bond acceptors: 4; (3) #H bond donors: 2; (4) #Freely Rotating Bonds: 3; (5) Polar Surface Area: 66.24 Å²; (6) Index of Refraction: 1.534; (7) Molar Refractivity: 28.88 cm³; (8) Molar Volume: 92.8 cm³; (9)Surface Tension: 64.2 dyne/cm; (10) Density: 1.33 g/cm³; (11) Flash Point: 156.2 °C; (12) Enthalpy of Vaporization: 60.98 kJ/mol; (13) Boiling Point: 334.7 °C at 760 mmHg; (14) Vapour Pressure: 4.95E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ccncn1
(2) InChI: InChI=1/C4H5BN2O2/c8-5(9)4-1-2-6-3-7-4/h1-3,8-9H
(3) InChIKey: YQEFFTJDRKXKAP-UHFFFAOYAP