Cas no 54514-30-6 (1-Bromo-2-butoxybenzene)
1-Bromo-2-butoxybenzene is a brominated aromatic compound featuring a butoxy substituent at the ortho position relative to the bromine atom. This structural configuration imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig aminations. The presence of both bromine and alkoxy groups enhances its utility in constructing complex molecular frameworks, including pharmaceuticals and agrochemicals. Its stability under standard conditions ensures ease of handling and storage. The compound’s well-defined reactivity profile allows for selective functionalization, enabling precise modifications in target molecules. Suitable for research and industrial applications, it offers a reliable building block for advanced synthetic methodologies.
1-Bromo-2-butoxybenzene structure
Product Name:1-Bromo-2-butoxybenzene
CAS No:54514-30-6
MF:C10H13BrO
MW:229.113622426987
MDL:MFCD09942935
CID:941669
PubChem ID:19008126
Update Time:2025-06-08
1-Bromo-2-butoxybenzene Chemical and Physical Properties
Names and Identifiers
-
- o-butoxybromobenzene
- 1-Bromo-2-butoxybenzene
- 2-butoxy-1-bromobenzene
- n-butyloxybromobenzene
- MFCD09942935
- 54514-30-6
- DA-29686
- SY111104
- EN300-43274
- AKOS000186825
- AB91640
- 1-Bromo-2-n-butoxybenzene
- DTXSID10597335
- E90318
- CS-0195197
- Z149303058
- SCHEMBL4185846
-
- MDL: MFCD09942935
- Inchi: 1S/C10H13BrO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h4-7H,2-3,8H2,1H3
- InChI Key: HFEFLNNDSLOUEM-UHFFFAOYSA-N
- SMILES: BrC1C=CC=CC=1OCCCC
Computed Properties
- Exact Mass: 228.01498g/mol
- Monoisotopic Mass: 228.01498g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 116
- 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: 4.1
- Topological Polar Surface Area: 9.2?2
1-Bromo-2-butoxybenzene 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
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-Bromo-2-butoxybenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019064082-1g |
1-Bromo-2-butoxybenzene |
54514-30-6 | 95% | 1g |
$771.33 | 2023-09-01 | |
| Alichem | A019064082-5g |
1-Bromo-2-butoxybenzene |
54514-30-6 | 95% | 5g |
$3237.67 | 2023-09-01 | |
| abcr | AB429536-1 g |
1-Bromo-2-n-butoxybenzene |
54514-30-6 | 1g |
€143.80 | 2023-04-23 | ||
| abcr | AB429536-5 g |
1-Bromo-2-n-butoxybenzene |
54514-30-6 | 5g |
€344.20 | 2023-04-23 | ||
| abcr | AB429536-10 g |
1-Bromo-2-n-butoxybenzene |
54514-30-6 | 10g |
€552.40 | 2023-04-23 | ||
| abcr | AB429536-25 g |
1-Bromo-2-n-butoxybenzene |
54514-30-6 | 25g |
€1,035.80 | 2023-04-23 | ||
| TRC | B701148-50mg |
1-Bromo-2-butoxybenzene |
54514-30-6 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B701148-100mg |
1-Bromo-2-butoxybenzene |
54514-30-6 | 100mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B701148-500mg |
1-Bromo-2-butoxybenzene |
54514-30-6 | 500mg |
$ 95.00 | 2022-06-06 | ||
| Enamine | EN300-43274-0.05g |
1-bromo-2-butoxybenzene |
54514-30-6 | 95.0% | 0.05g |
$19.0 | 2025-02-20 |
1-Bromo-2-butoxybenzene Related Literature
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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