Cas no 80438-63-7 (BENZENE, 1-BROMO-3,5-BIS(1,1-DIMETHYLETHYL)-2-IODO-)
80438-63-7 structure
Product Name:BENZENE, 1-BROMO-3,5-BIS(1,1-DIMETHYLETHYL)-2-IODO-
CAS No:80438-63-7
MF:C14H20BrI
MW:395.117075920105
CID:3373175
PubChem ID:12858535
Update Time:2025-04-21
BENZENE, 1-BROMO-3,5-BIS(1,1-DIMETHYLETHYL)-2-IODO- Chemical and Physical Properties
Names and Identifiers
-
- BENZENE, 1-BROMO-3,5-BIS(1,1-DIMETHYLETHYL)-2-IODO-
- 1-BROMO-3,5-DI-TERT-BUTYL-2-IODOBENZENE
- 1369790-21-5
- Benzene, 1-Bromo-3,5-Bis(1,1-Dimethylethyl)-2-Iodo
- 80438-63-7
- AT36727
-
- Inchi： 1S/C14H20BrI/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3
- InChI Key： XKQUJWXOJGNAHT-UHFFFAOYSA-N
- SMILES： IC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)Br
Computed Properties
- Exact Mass: 393.97931Da
- Monoisotopic Mass: 393.97931Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 236
- 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
- XLogP3: 6.6
- Topological Polar Surface Area: 0?2
BENZENE, 1-BROMO-3,5-BIS(1,1-DIMETHYLETHYL)-2-IODO- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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