Cas no 193905-94-1 (1-Bromo-3-tert-butyl-5-methylbenzene)
1-Bromo-3-tert-butyl-5-methylbenzene is a brominated aromatic compound featuring a tert-butyl and a methyl substituent on the benzene ring. Its molecular structure, characterized by steric hindrance from the bulky tert-butyl group, makes it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings. The electron-donating alkyl groups influence its reactivity, enabling selective functionalization. This compound is commonly used in pharmaceutical and agrochemical research for constructing complex aromatic frameworks. Its stability and well-defined reactivity profile ensure consistent performance in synthetic applications. Proper handling is advised due to its halogenated nature.
193905-94-1 structure
Product Name:1-Bromo-3-tert-butyl-5-methylbenzene
CAS No:193905-94-1
MF:C11H15Br
MW:227.140802621841
CID:116488
PubChem ID:44118615
Update Time:2025-10-29
1-Bromo-3-tert-butyl-5-methylbenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-Bromo-3-(tert-butyl)-5-methylbenzene
- 1-Bromo-3-tert-butyl-5-methylbenzene
- Benzene,1-bromo-3-(1,1-dimethylethyl)-5-methyl-
- ACMC-1C4MK
- ANW-23617
- CTK4E1381
- MolPort-001-758-899
- SureCN2745570
- 3-Bromo-5-(tert-butyl)toluene
- DTXSID10656916
- 3,4-Dihydro-1H-indolo[2,3-b][1,8]naphthyridin-2(10H)-one
- AKOS015835369
- 3,5-Tert-butylbenzyl bromide
- MFCD09801037
- SCHEMBL2745570
- A880230
- 193905-94-1
- BS-27381
- CS-0449499
-
- MDL： MFCD09801037
- Inchi： 1S/C11H15Br/c1-8-5-9(11(2,3)4)7-10(12)6-8/h5-7H,1-4H3
- InChI Key： VHUIMCRJBRTILQ-UHFFFAOYSA-N
- SMILES： BrC1C=C(C)C=C(C=1)C(C)(C)C
Computed Properties
- Exact Mass: 226.03600
- Monoisotopic Mass: 226.03571g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 146
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0.00000
- LogP: 4.05500
1-Bromo-3-tert-butyl-5-methylbenzene Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
-
Hazardous Material Identification：
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-Bromo-3-tert-butyl-5-methylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B698968-100mg |
1-Bromo-3-tert-butyl-5-methylbenzene |
193905-94-1 | 100mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B698968-250mg |
1-Bromo-3-tert-butyl-5-methylbenzene |
193905-94-1 | 250mg |
$ 75.00 | 2023-04-18 | ||
| TRC | B698968-500mg |
1-Bromo-3-tert-butyl-5-methylbenzene |
193905-94-1 | 500mg |
$ 87.00 | 2023-04-18 | ||
| TRC | B698968-1g |
1-Bromo-3-tert-butyl-5-methylbenzene |
193905-94-1 | 1g |
$ 80.00 | 2022-06-06 | ||
| Alichem | A019089061-25g |
1-Bromo-3-(tert-butyl)-5-methylbenzene |
193905-94-1 | 95% | 25g |
$998.00 | 2023-09-02 | |
| Apollo Scientific | OR11694-1g |
3-Bromo-5-(tert-butyl)toluene |
193905-94-1 | 1g |
￡135.00 | 2023-09-01 | ||
| TRC | B698968-1000mg |
1-Bromo-3-tert-butyl-5-methylbenzene |
193905-94-1 | 1g |
$ 98.00 | 2023-04-18 | ||
| A2B Chem LLC | AE80584-1g |
1-Bromo-3-tert-butyl-5-methylbenzene |
193905-94-1 | 96% | 1g |
$75.00 | 2024-04-20 | |
| A2B Chem LLC | AE80584-5g |
1-Bromo-3-tert-butyl-5-methylbenzene |
193905-94-1 | 96% | 5g |
$209.00 | 2024-04-20 | |
| A2B Chem LLC | AE80584-25g |
1-Bromo-3-tert-butyl-5-methylbenzene |
193905-94-1 | 96% | 25g |
$532.00 | 2024-04-20 |
1-Bromo-3-tert-butyl-5-methylbenzene Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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