2,5-Dichloropyridine-4-boronic acid supplier

Name
2,5-DICHLOROPYRIDINE-4-BORONIC ACID
EINECS
CAS No. 847664-64-6
Article Data2
CAS DataBase
Density 1.56 g/cm³
Solubility
Melting Point 150 °C
Formula C₅H₄BCl₂NO₂
Boiling Point 368.9 °C at 760 mmHg
Molecular Weight 191.809
Flash Point 176.9 °C
Transport Information
Appearance White to cream-colored crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (2,5-dichloro-4-pyridinyl)- (9CI);2,5-Dichloro-4-pyridineboronic acid;2,5-Dichloropyridine-4-boronic acid;
PSA 53.35000
LogP 0.06820

2,5-Dichloropyridine-4-boronic acid Specification

The IUPAC name of Boronic acid,B-(2,5-dichloro-4-pyridinyl)- is (2,5-dichloropyridin-4-yl)boronic acid. With the CAS registry number 847664-64-6, it is also named as 2,5-Dichloro-4-pyridineboronic acid. Besides, it is white to cream-colored crystalline powder, which should be stored in closed, cool and dry place. The product's category is Pyridine. In addition, its molecular formula is C₅H₄BCl₂NO₂ and its molecular weight is 191.81.

The other characteristics of Boronic acid,B-(2,5-dichloro-4-pyridinyl)- can be summarized as: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): ACD/BCF (pH 7.4):; (6)ACD/KOC (pH 5.5): ACD/KOC (pH 7.4):; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 53.35 Å²; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 40.74 cm³; (13)Molar Volume: 122.3 cm³; (14)Polarizability: 16.15×10^-24cm³; (15)Surface Tension: 60.6 dyne/cm; (16)Density: 1.56 g/cm³; (17)Flash Point: 176.9 °C; (18)Melting Point: 150 °C; (19)Enthalpy of Vaporization: 64.95 kJ/mol; (20)Boiling Point: 368.9 °C at 760 mmHg; (21)Vapour Pressure: 4.29E-06 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: OB(O)c1cc(Cl)ncc1Cl
(2)InChI: InChI=1/C5H4BCl2NO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2,10-11H
(3)InChIKey: BEJJMDOFMZCRST-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C5H4BCl2NO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2,10-11H
(5)Std. InChIKey: BEJJMDOFMZCRST-UHFFFAOYSA-N

Product Name

2,5-DICHLOROPYRIDINE-4-BORONIC ACID

2,5-Dichloropyridine-4-boronic acid Specification

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