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55718-76-8

Basic Information
CAS No.: 55718-76-8
Name: 2-CHLORO-1,3,2-BENZODIOXABOROLE
Article Data: 3
Molecular Structure:
Molecular Structure of 55718-76-8 (2-CHLORO-1,3,2-BENZODIOXABOROLE)
Formula: C6H4BClO2
Molecular Weight: 154.361
Synonyms: 2-Chloro-benzo[1,3,2]dioxaborole;
Density: 1.32 g/cm3
Melting Point: 56-58 °C(lit.)
Boiling Point: 186.554 °C at 760 mmHg
Flash Point: 66.626 °C
Hazard Symbols: CorrosiveC,FlammableF
Risk Codes: 11-14-34-37
Safety: 16-26-36/37/39-45
Transport Information: UN 2925 4.1/PG 2
PSA: 18.46000
LogP: 1.68150
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Specification

The 2-Chloro-1,3,2-benzodioxaborole, with the CAS registry number 55718-76-8, is also known as 2-Chloro-benzo[1,3,2]dioxaborole. It belongs to the product categories of B (Classes of Boron Compounds); B-Bromocatecholborane, etc. This chemical's molecular formula is C6H4BClO2 and molecular weight is 154.36. What's more, its systematic name is 2-Chloro-1,3,2-benzodioxaborole. This chemical should be sealed and stored at the temperature of 2 - 8 °C.

Physical properties of 2-Chloro-1,3,2-benzodioxaborole are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: 18.46 Å2; (5)Index of Refraction: 1.536; (6)Molar Refractivity: 36.487 cm3; (7)Molar Volume: 116.958 cm3; (8)Polarizability: 14.465×10-24cm3; (9)Surface Tension: 35.8 dyne/cm; (10)Density: 1.32 g/cm3; (11)Flash Point: 66.626 °C; (12)Enthalpy of Vaporization: 40.545 kJ/mol; (13)Boiling Point: 186.554 °C at 760 mmHg; (14)Vapour Pressure: 0.9 mmHg at 25°C.

Uses of 2-Chloro-1,3,2-benzodioxaborole: it can be used to produce 2-azido-benzo[1,3,2]dioxaborole at the temperature of 20 °C. It will need reagent trimethylsilyl azide and solvent CH2Cl2 with the reaction time of 12 hours. The yield is about 80%.

2-Chloro-1,3,2-benzodioxaborole can be used to produce 2-azido-benzo[1,3,2]dioxaborole at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It can cause burns and react violently with water. It is irritating to respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClB1Oc2ccccc2O1
(2)Std. InChI: InChI=1S/C6H4BClO2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
(3)Std. InChIKey: AZYGEWXDKHFOKB-UHFFFAOYSA-N