1,3,2-Benzodioxaborole,2-phenyl- supplier

Name
2-PHENYL-1,3,2-BENZODIOXABOROLE
EINECS
CAS No. 5747-23-9
Article Data29
CAS DataBase
Density 1.18g/cm³
Solubility
Melting Point 114 °C
Formula C₁₂H₉BO₂
Boiling Point 284.7 °C at 760 mmHg
Molecular Weight 196.013
Flash Point 126 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Benzeneboronicacid, cyclic o-phenylene ester (7CI,8CI);Benzeneboronic acid, o-phenyleneester (6CI);Pyrocatechol, cyclic benzeneboronate;2-Phenyl-1,3,2-benzodioxaborole;NSC 54020;
PSA 18.46000
LogP 1.85320

1,3,2-Benzodioxaborole,2-phenyl- Specification

The 1,3,2-Benzodioxaborole,2-phenyl-, with CAS registry number 5747-23-9, has the systematic name of 2-phenyl-1,3,2-benzodioxaborole. Besides this, it is also called benzeneboronicacid,o-phenyleneester. And the chemical formula of this chemical is C₁₂H₉BO₂.

Physical properties of 1,3,2-Benzodioxaborole,2-phenyl-: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 18.46 Å²; (5)Index of Refraction: 1.595; (6)Molar Refractivity: 56.36 cm³; (7)Molar Volume: 165.8 cm³; (8)Polarizability: 22.34×10^-24cm³; (9)Surface Tension: 41.4 dyne/cm; (10)Density: 1.18 g/cm³; (11)Flash Point: 126 °C; (12)Enthalpy of Vaporization: 50.27 kJ/mol; (13)Boiling Point: 284.7 °C at 760 mmHg; (14)Vapour Pressure: 0.00503 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1B(Oc2ccccc12)c3ccccc3
(2)InChI: InChI=1/C12H9BO2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
(3)InChIKey: NDSRMXNIVBRWFG-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C12H9BO2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
(5)Std. InChIKey: NDSRMXNIVBRWFG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	180mg/kg (180mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01862,

Product Name

2-PHENYL-1,3,2-BENZODIOXABOROLE

1,3,2-Benzodioxaborole,2-phenyl- Specification

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