Cas no 1257650-61-5 (3-Bromo-5-fluorophenylboronic acid MIDA ester)
1257650-61-5 structure
Product Name:3-Bromo-5-fluorophenylboronic acid MIDA ester
CAS No:1257650-61-5
MF:C11H10BBrFNO4
MW:329.91480588913
CID:2760833
PubChem ID:329762754
Update Time:2025-04-21
3-Bromo-5-fluorophenylboronic acid MIDA ester Chemical and Physical Properties
Names and Identifiers
-
- 2-(3-bromo-5-fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
- DTXSID00745964
- DTXCID80696708
- 4H-1,3,6,2-Dioxazaborocine-4,8(5H)-dione, 2-(3-bromo-5-fluorophenyl)dihydro-6-methyl-
- 1257650-61-5
- 3-Bromo-5-fluorophenylboronic acid MIDA ester, 97%
- 3-Bromo-5-fluorophenylboronic acid MIDA ester
-
- MDL： MFCD15144781
- Inchi： 1S/C11H10BBrFNO4/c1-15-5-10(16)18-12(19-11(17)6-15)7-2-8(13)4-9(14)3-7/h2-4H,5-6H2,1H3
- InChI Key： ABRYALMIBLCOGS-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC(B2OC(CN(C)CC(=O)O2)=O)=C1)F
Computed Properties
- Exact Mass: 328.98703Da
- Monoisotopic Mass: 328.98703Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 353
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Melting Point: 106-110?°C
3-Bromo-5-fluorophenylboronic acid MIDA ester Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：2
- Hazard Category Code： 36/37/38
- Safety Instruction： 26-36
-
Hazardous Material Identification：
3-Bromo-5-fluorophenylboronic acid MIDA ester Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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