Cas no 91-06-5 (Benzene, 2-bromo-1,3,5-triethyl-)
Benzene, 2-bromo-1,3,5-triethyl- is a brominated aromatic compound featuring three ethyl substituents and a single bromine atom on the benzene ring. Its structure offers selective reactivity, making it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki or Heck couplings. The presence of both bromine and ethyl groups enhances its utility in constructing complex molecules, including pharmaceuticals and agrochemicals. The compound’s stability under standard conditions ensures ease of handling and storage. Its well-defined substitution pattern allows for predictable regioselectivity in further functionalization, supporting precise molecular design in research and industrial applications.
91-06-5 structure
Product Name:Benzene, 2-bromo-1,3,5-triethyl-
CAS No:91-06-5
MF:C12H17Br
MW:241.167382955551
MDL:MFCD00045018
CID:807752
PubChem ID:66664
Update Time:2025-06-07
Benzene, 2-bromo-1,3,5-triethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-bromo-1,3,5-triethyl-
- 2-Bromo-1,3,5-triethylbenzene
- 2-bromo-1,3,5-triethyl-benzene
- 1-BROMO-2,4,6-TRIETHYLBENZENE
- 1,3,5-Triaethyl-2-brom-benzol
- 1,3,5-triethyl-2-bromo-benzene
- 1,3,5-triethylbromobenzene
- 2,4,6-Triethylbromobenzene
- Benzene,2-bromo-1,3,5-triethyl
- FT-0631435
- A905077
- 1,3,5-Triethyl-2-bromobenzene
- DTXSID7059018
- AKOS017550628
- 91-06-5
- NS00039386
- SCHEMBL456782
- AI3-07034
- MFCD00045018
- Benzene,2-bromo-1,3,5-triethyl-
- GYPGUOPEQLYKQZ-UHFFFAOYSA-N
- EINECS 202-038-5
- DB-005697
- DTXCID5048710
-
- MDL： MFCD00045018
- Inchi： 1S/C12H17Br/c1-4-9-7-10(5-2)12(13)11(6-3)8-9/h7-8H,4-6H2,1-3H3
- InChI Key： GYPGUOPEQLYKQZ-UHFFFAOYSA-N
- SMILES： BrC1C(CC)=CC(CC)=CC=1CC
Computed Properties
- Exact Mass: 240.05100
- Monoisotopic Mass: 240.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 130
- 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: 0A^2
- XLogP3: 5
Experimental Properties
- Density: 1.181±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 276.4±9.0 oC (760 Torr),
- Flash Point: 117.9±13.1 oC,
- Refractive Index: 1.5366 (589.3 nm 20 oC)
- Solubility: Insuluble (5.1E-4 g/L) (25 oC),
- PSA: 0.00000
- LogP: 4.13630
Benzene, 2-bromo-1,3,5-triethyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | K51917-5g |
1-Bromo-2,4,6-triEthylbenzene |
91-06-5 | 95% | 5g |
$725 | 2024-06-09 | |
| eNovation Chemicals LLC | K51917-10g |
1-Bromo-2,4,6-triEthylbenzene |
91-06-5 | 95% | 10g |
$1150 | 2024-06-09 | |
| eNovation Chemicals LLC | K51917-25g |
1-Bromo-2,4,6-triEthylbenzene |
91-06-5 | 95% | 25g |
$1350 | 2024-06-09 | |
| eNovation Chemicals LLC | K51917-5g |
1-Bromo-2,4,6-triEthylbenzene |
91-06-5 | 95% | 5g |
$725 | 2025-03-03 | |
| eNovation Chemicals LLC | K51917-10g |
1-Bromo-2,4,6-triEthylbenzene |
91-06-5 | 95% | 10g |
$1150 | 2025-03-03 | |
| eNovation Chemicals LLC | K51917-25g |
1-Bromo-2,4,6-triEthylbenzene |
91-06-5 | 95% | 25g |
$1350 | 2025-03-03 | |
| eNovation Chemicals LLC | K51917-25g |
1-Bromo-2,4,6-triEthylbenzene |
91-06-5 | 95% | 25g |
$1350 | 2025-03-03 | |
| eNovation Chemicals LLC | K51917-5g |
1-Bromo-2,4,6-triEthylbenzene |
91-06-5 | 95% | 5g |
$725 | 2025-03-03 | |
| eNovation Chemicals LLC | K51917-10g |
1-Bromo-2,4,6-triEthylbenzene |
91-06-5 | 95% | 10g |
$1150 | 2025-03-03 | |
| A2B Chem LLC | AH94934-1g |
1-BROMO-2,4,6-TRIETHYLBENZENE |
91-06-5 | 95% | 1g |
$255.00 | 2024-05-20 |
Benzene, 2-bromo-1,3,5-triethyl- Related Literature
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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