Cas no 1805523-44-7 (Methyl 2-bromo-3,6-difluorobenzoate)
Methyl 2-bromo-3,6-difluorobenzoate is a fluorinated aromatic ester with the molecular formula C8H5BrF2O2. This compound features a bromine substituent at the ortho position and fluorine atoms at the meta and para positions relative to the ester group, making it a versatile intermediate in organic synthesis. Its distinct substitution pattern enables selective functionalization, particularly in cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings. The electron-withdrawing nature of the fluorine atoms enhances reactivity in nucleophilic aromatic substitution (SNAr) reactions. The methyl ester group offers stability while allowing further derivatization via hydrolysis or transesterification. This compound is valuable in pharmaceutical and agrochemical research for constructing complex fluorinated scaffolds with precise regiocontrol. Its high purity and well-defined structure ensure reproducibility in synthetic applications.
1805523-44-7 structure
Product Name:Methyl 2-bromo-3,6-difluorobenzoate
CAS No:1805523-44-7
MF:C8H5BrF2O2
MW:251.024908781052
MDL:MFCD28061358
CID:4617909
PubChem ID:121227880
Update Time:2025-07-02
Methyl 2-bromo-3,6-difluorobenzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-bromo-3,6-difluorobenzoate
- AK472271
- F31348
- DS-18857
- EN300-761401
- 1805523-44-7
- CS-W000611
- MFCD28061358
- SY128681
- AKOS027421477
- Methyl2-bromo-3,6-difluorobenzoate
-
- MDL： MFCD28061358
- Inchi： 1S/C8H5BrF2O2/c1-13-8(12)6-4(10)2-3-5(11)7(6)9/h2-3H,1H3
- InChI Key： KIEJIRZTQOYEMQ-UHFFFAOYSA-N
- SMILES： BrC1C(=CC=C(C=1C(=O)OC)F)F
Computed Properties
- Exact Mass: 249.94410g/mol
- Monoisotopic Mass: 249.94410g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 201
- 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: 2.7
- Topological Polar Surface Area: 26.3
Methyl 2-bromo-3,6-difluorobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015009442-250mg |
Methyl 2-bromo-3,6-difluorobenzoate |
1805523-44-7 | 97% | 250mg |
494.40 USD | 2021-06-21 | |
| Alichem | A015009442-500mg |
Methyl 2-bromo-3,6-difluorobenzoate |
1805523-44-7 | 97% | 500mg |
823.15 USD | 2021-06-21 | |
| Alichem | A015009442-1g |
Methyl 2-bromo-3,6-difluorobenzoate |
1805523-44-7 | 97% | 1g |
1,475.10 USD | 2021-06-21 | |
| Chemenu | CM250505-1g |
Methyl 2-bromo-3,6-difluorobenzoate |
1805523-44-7 | 95+% | 1g |
$355 | 2021-06-16 | |
| Chemenu | CM250505-5g |
Methyl 2-bromo-3,6-difluorobenzoate |
1805523-44-7 | 95+% | 5g |
$1066 | 2021-06-16 | |
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FB00626-5g |
Methyl 2-bromo-3,6-difluorobenzoate |
1805523-44-7 | 95% | 5g |
$716 | 2023-09-07 | |
| Apollo Scientific | PC501775-250mg |
Methyl 2-bromo-3,6-difluorobenzoate |
1805523-44-7 | 99% | 250mg |
￡17.00 | 2025-03-21 | |
| abcr | AB514900-1 g |
Methyl 2-bromo-3,6-difluorobenzoate |
1805523-44-7 | 1g |
€579.50 | 2023-04-18 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-DW080-200mg |
Methyl 2-bromo-3,6-difluorobenzoate |
1805523-44-7 | 97% | 200mg |
354.0CNY | 2021-07-13 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-DW080-50mg |
Methyl 2-bromo-3,6-difluorobenzoate |
1805523-44-7 | 97% | 50mg |
141.0CNY | 2021-07-13 |
Methyl 2-bromo-3,6-difluorobenzoate Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
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
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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