CAS No.1003845-06-4,2-CHLOROPYRIMIDINE-5-BORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1003845-06-4
Name:	2-CHLOROPYRIMIDINE-5-BORONIC ACID
Article Data:	8

Formula:	C₄H₄BClN₂O₂
Molecular Weight:	158.352
Synonyms:	10-phenylantrhacen-9-yl boronic acid
Density:	1.522 g/cm³
Boiling Point:	425.36 °C at 760 mmHg
Flash Point:	211.051 °C
Appearance:	off-white solid
PSA:	66.24000
LogP:	-1.19020

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Specification

The CAS register number of 2-Chloropyrimidine-5-boronic acid is 1003845-06-4. It also can be called as Boronic acid, B-(2-chloro-5-pyrimidinyl)- and the systematic name about this chemical is (2-chloropyrimidin-5-yl)boronic acid. The molecular formula about this chemical is C₄H₄BClN₂O₂and the molecular weight is 158.35. It belongs to the following product categories, such as Heterocyclic Compounds; Organoborons; Pyrimidine and so on.

Physical properties about 2-Chloropyrimidine-5-boronic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 4.31; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 66.24 Å²; (9)Index of Refraction: 1.561; (10)Molar Refractivity: 33.71 cm³; (11)Molar Volume: 104 cm³; (12)Polarizability: 13.36x10^-24cm³; (13)Surface Tension: 69 dyne/cm; (14)Enthalpy of Vaporization: 71.68 kJ/mol; (15)Boiling Point: 425.4 °C at 760 mmHg; (16)Vapour Pressure: 5.4E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cnc(Cl)nc1
(2)InChI: InChI=1/C4H4BClN2O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H
(3)InChIKey: YTCIHPTZKKWKKC-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C4H4BClN2O2/c6-4-7-1-3(2-8-4)5(9)10/h1-2,9-10H
(5)Std. InChIKey: YTCIHPTZKKWKKC-UHFFFAOYSA-N