Cas no 91506-05-7 (Benzene,5-bromo-1-chloro-2-methoxy-3-methyl-)
Benzene,5-bromo-1-chloro-2-methoxy-3-methyl- is a halogenated aromatic compound featuring a bromo, chloro, methoxy, and methyl substituent on a benzene ring. Its distinct substitution pattern makes it a valuable intermediate in organic synthesis, particularly for constructing complex molecules in pharmaceuticals, agrochemicals, and materials science. The presence of multiple functional groups allows for selective further derivatization, enhancing its utility in cross-coupling reactions, nucleophilic substitutions, and other transformations. Its stability under standard conditions ensures ease of handling and storage. This compound is particularly useful in research and industrial applications requiring precise structural modifications of aromatic systems.
91506-05-7 structure
Product Name:Benzene,5-bromo-1-chloro-2-methoxy-3-methyl-
CAS No:91506-05-7
MF:C8H8BrClO
MW:235.505520820618
MDL:MFCD11848451
CID:807267
PubChem ID:3021834
Update Time:2025-05-27
Benzene,5-bromo-1-chloro-2-methoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,5-bromo-1-chloro-2-methoxy-3-methyl-
- 4-Bromo-2-chloro-6-methylanisole
- 5-bromo-1-chloro-2-methoxy-3-methylbenzene
- CS-0193123
- E90621
- SCHEMBL931631
- MFCD11848451
- 91506-05-7
- EINECS 293-839-9
- DTXSID40238603
- NS00039399
- YSTRJVIMBHPGBW-UHFFFAOYSA-N
- A1-07296
-
- MDL: MFCD11848451
- Inchi: 1S/C8H8BrClO/c1-5-3-6(9)4-7(10)8(5)11-2/h3-4H,1-2H3
- InChI Key: YSTRJVIMBHPGBW-UHFFFAOYSA-N
- SMILES: BrC1C=C(C(=C(C)C=1)OC)Cl
Computed Properties
- Exact Mass: 233.945
- Monoisotopic Mass: 233.945
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 131
- 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: 3.6
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- Density: 1.492
- Boiling Point: 260.6°Cat760mmHg
- Flash Point: 111.4°C
- Refractive Index: 1.55
Benzene,5-bromo-1-chloro-2-methoxy-3-methyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1263793-500mg |
5-Bromo-1-chloro-2-methoxy-3-methylbenzene |
91506-05-7 | 98% | 500mg |
¥3172.00 | 2024-04-25 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1263793-1g |
5-Bromo-1-chloro-2-methoxy-3-methylbenzene |
91506-05-7 | 98% | 1g |
¥5283.00 | 2024-04-25 | |
| A2B Chem LLC | AC92493-250mg |
4-BROMO-2-CHLORO-6-METHYLANISOLE |
91506-05-7 | 95% | 250mg |
$190.00 | 2024-07-18 | |
| A2B Chem LLC | AC92493-500mg |
4-BROMO-2-CHLORO-6-METHYLANISOLE |
91506-05-7 | 95% | 500mg |
$257.00 | 2024-07-18 | |
| A2B Chem LLC | AC92493-1g |
4-BROMO-2-CHLORO-6-METHYLANISOLE |
91506-05-7 | 95% | 1g |
$345.00 | 2024-07-18 | |
| abcr | AB541446-5g |
5-Bromo-1-chloro-2-methoxy-3-methylbenzene; . |
91506-05-7 | 5g |
€1476.00 | 2025-04-15 | ||
| abcr | AB541446-250mg |
5-Bromo-1-chloro-2-methoxy-3-methylbenzene; . |
91506-05-7 | 250mg |
€252.40 | 2025-04-15 | ||
| abcr | AB541446-500mg |
5-Bromo-1-chloro-2-methoxy-3-methylbenzene; . |
91506-05-7 | 500mg |
€418.90 | 2023-09-01 | ||
| abcr | AB541446-1g |
5-Bromo-1-chloro-2-methoxy-3-methylbenzene; . |
91506-05-7 | 1g |
€451.70 | 2025-04-15 | ||
| abcr | AB541446-250 mg |
5-Bromo-1-chloro-2-methoxy-3-methylbenzene; . |
91506-05-7 | 250MG |
€256.70 | 2023-07-10 |
Benzene,5-bromo-1-chloro-2-methoxy-3-methyl- Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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