2-Phenyl-1,3,2-benzodioxaborole 2-苯基-1,3,2-苯二酚硼烷
CAS 5747-23-9 MFCD00221620
化学结构图
SMILES: c1ccc(B2Oc3ccccc3O2)cc1
化学属性
| Mol. Formula | C12H9BO2 |
|---|---|
| Mol. Weight | 196.01 |
| Melting Point | 114 °C |
| Boiling Point | 124 °C at 0.4 mmHg |
别名和识别编码
| Chemical Name | 2-Phenyl-1,3,2-benzodioxaborole |
|---|---|
| Synonym | 2-Phenylbenzo[d][1,3,2]dioxaborole {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {} {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {} {} {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {} {} {} {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {} {} {} {} {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {} {} {} {} {} {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Phenylbenzo[d][1,3,2]dioxaborole {} {} {} {} {} {} {} {} {} {} {} { |
| InChIKey | NDSRMXNIVBRWFG-UHFFFAOYSA-N |
| Wiswesser Line Notation | T56 BOBOJ CR |
| CAS Number | 5747-23-9 |
| Beilstein Registry Number | 2938975 |
| LabNetwork Molecule ID | LN01307961 |
| Chemical Name Translation | 2-苯基-1,3,2-苯二酚硼烷 |
| Canonical SMILES | C1(B2OC3=CC=CC=C3O2)=CC=CC=C1 |
| PubChem Substance ID | 96121 |
| InChI | InChI=1S/C12H9BO2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H |
| MDL Number | MFCD00221620 |
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分类
- {uni_hamburg} no charge; oxygen heterocycle; other heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
相关文献及参考
- Short: III/35A Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Boron-11 and Phosphorus-31 Author: Gupta, R.R.; Jain, M.; Pardasani, P.; Pardasani, R.T.; Pelter, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35A Year: 1997 ISBN: 3-540-60366-2 ISBN: 978-3-540-60366-5 Internet Resource: DOI:10.1007/b53033 RefComment: VIII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 180 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01862
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