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CAS No.: | 5747-23-9 |
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Name: | 2-PHENYL-1,3,2-BENZODIOXABOROLE |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C12H9BO2 |
Molecular Weight: | 196.013 |
Synonyms: | Benzeneboronicacid, cyclic o-phenylene ester (7CI,8CI);Benzeneboronic acid, o-phenyleneester (6CI);Pyrocatechol, cyclic benzeneboronate;2-Phenyl-1,3,2-benzodioxaborole;NSC 54020; |
Density: | 1.18g/cm3 |
Melting Point: | 114 °C |
Boiling Point: | 284.7 °C at 760 mmHg |
Flash Point: | 126 °C |
Hazard Symbols: | Xi |
PSA: | 18.46000 |
LogP: | 1.85320 |
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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, |