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1692-15-5

Basic Information
CAS No.: 1692-15-5
Name: Boronicacid, B-4-pyridinyl-
Molecular Structure:
Molecular Structure of 1692-15-5 (Boronicacid, B-4-pyridinyl-)
Formula: C5H6BNO2
Molecular Weight: 122.92
Synonyms: Boronic acid, 4-pyridinyl- (9CI);4-Pyridinylboronic acid;4-Pyridylboronic acid;Pyridin-4-yl boronic acid;pyridin-4-ylboronic acid;4-Pyridineboronicacid (7CI,8CI);
EINECS: 671-679-4
Density: 1.23 g/cm3
Melting Point: >300 °C(lit.)
Boiling Point: 308.782 °C at 760 mmHg
Flash Point: 140.547 °C
Solubility:
Appearance: light orange granular powder
Hazard Symbols: HarmfulXn,IrritantXi,CorrosiveC,FlammableF
Risk Codes: 36/37/38-22-34-11
Safety: 22-24/25-36/37/39-26-45-16
Transport Information:
PSA: 53.35000
LogP: -1.23860
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Specification

The 4-Pyridinylboronic acid is an organic compound with the formula C5H6BNO2. The IUPAC name of this chemical is pyridin-4-ylboronic acid. With the CAS registry number 1692-15-5, it is also named as Acide pyridin-4-ylboronique. The product's categories are Blocks; BoronicAcids; Pyridines; Miscellaneous; Boronic Acids & Esters; Boronic Acids; Heterocyclic Compounds; Boronic Acid; Organoborons; Pyridine; B (Classes of Boron Compounds); Aromatics; Boron Derivatives; Heterocycles; Boronic Acids & Esters;Boronic Acids; Boronic Acids and Derivatives; Heteroaryl. Besides, it is a light orange granular powder, which should be stored at temperature of -20 °C.

Physical properties about 4-Pyridinylboronic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 20.108; (4)ACD/KOC (pH 7.4): 8.65; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 53.35 Å2; (9)Index of Refraction: 1.534; (10)Molar Refractivity: 31.087 cm3; (11)Molar Volume: 99.944 cm3; (12)Polarizability: 12.324×10-24cm3; (13)Surface Tension: 51.135 dyne/cm; (14)Density: 1.23 g/cm3; (15)Flash Point: 140.547 °C; (16)Enthalpy of Vaporization: 58.018 kJ/mol; (17)Boiling Point: 308.782 °C at 760 mmHg.

Uses of 4-Pyridinylboronic acid: it can be used to produce 3-Nitro-2-(4-pyridyl)pyridine. It will need catalyst <1,4-bis-(diphenylphosphine)butane>palladium(II). The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and highly flammable. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin and can causes burns. When you are using it, wear suitable gloves and eye/face protection, avoid contact with skin and eyes, and do not breathe dust. Besides, keep away from sources of ignition - No smoking. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccncc1)(O)O
(2)InChI: InChI=1/C5H6BNO2/c8-6(9)5-1-3-7-4-2-5/h1-4,8-9H
(3)InChIKey: QLULGIRFKAWHOJ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H6BNO2/c8-6(9)5-1-3-7-4-2-5/h1-4,8-9H
(5)Std. InChIKey: QLULGIRFKAWHOJ-UHFFFAOYSA-N