Cas no 4068-71-7 (Methyl 3-bromo-5-chloro-2-hydroxybenzoate)
Methyl 3-bromo-5-chloro-2-hydroxybenzoate is a halogenated aromatic ester with a molecular formula of C8H6BrClO3. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its key structural features—a bromo and chloro substitution on the benzene ring, along with a hydroxyl and ester group—enhance its reactivity in cross-coupling reactions, electrophilic substitutions, and derivatization processes. The presence of multiple functional groups allows for selective modifications, making it valuable for constructing complex molecules. Its stability under standard conditions and well-characterized reactivity profile contribute to its utility in research and industrial settings. Proper handling is advised due to potential sensitivity to moisture and light.
4068-71-7 structure
Product Name:Methyl 3-bromo-5-chloro-2-hydroxybenzoate
CAS No:4068-71-7
MF:C8H6BrClO3
MW:265.488440990448
MDL:MFCD06203697
CID:823957
PubChem ID:53419622
Update Time:2025-10-31
Methyl 3-bromo-5-chloro-2-hydroxybenzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 3-bromo-5-chloro-2-hydroxybenzoate
- RARECHEM AL BF 0302
- AK119552
- HBQLSLQUWRIFDB-UHFFFAOYSA-N
- 5530AB
- FCH1377336
- AX8244968
- ST2407199
- Methyl 3-Bromo-5-Chloro-2-Hydroxy-Benzoate
- DTXSID70697527
- MFCD06203697
- DB-370819
- CS-0103682
- 4068-71-7
- AKOS016010690
- Methyl3-bromo-5-chloro-2-hydroxybenzoate
- TS-03490
- C75060
- SCHEMBL3203329
-
- MDL： MFCD06203697
- Inchi： 1S/C8H6BrClO3/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3,11H,1H3
- InChI Key： HBQLSLQUWRIFDB-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC(C(=O)OC)=C1O)Cl
Computed Properties
- Exact Mass: 263.91888
- Monoisotopic Mass: 263.919
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 200
- 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: 46.5
- XLogP3: 3.3
Experimental Properties
- PSA: 46.53
Methyl 3-bromo-5-chloro-2-hydroxybenzoate Security Information
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Storage Condition：Sealed in dry,Room Temperature
Methyl 3-bromo-5-chloro-2-hydroxybenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM109617-5g |
Methyl 3-bromo-5-chloro-2-hydroxybenzoate |
4068-71-7 | 95+% | 5g |
$267 | 2021-06-17 | |
| Chemenu | CM109617-10g |
Methyl 3-bromo-5-chloro-2-hydroxybenzoate |
4068-71-7 | 95+% | 10g |
$477 | 2021-06-17 | |
| Alichem | A019093826-5g |
Methyl 3-bromo-5-chloro-2-hydroxybenzoate |
4068-71-7 | 97% | 5g |
$293.55 | 2023-09-02 | |
| Alichem | A019093826-10g |
Methyl 3-bromo-5-chloro-2-hydroxybenzoate |
4068-71-7 | 97% | 10g |
$504.90 | 2023-09-02 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-II297-50mg |
Methyl 3-bromo-5-chloro-2-hydroxybenzoate |
4068-71-7 | 97% | 50mg |
55.0CNY | 2021-07-12 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-II297-250mg |
Methyl 3-bromo-5-chloro-2-hydroxybenzoate |
4068-71-7 | 97% | 250mg |
306CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-II297-1g |
Methyl 3-bromo-5-chloro-2-hydroxybenzoate |
4068-71-7 | 97% | 1g |
350.0CNY | 2021-07-12 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-II297-5g |
Methyl 3-bromo-5-chloro-2-hydroxybenzoate |
4068-71-7 | 97% | 5g |
2443CNY | 2021-05-08 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M847129-1g |
Methyl 3-bromo-5-chloro-2-hydroxybenzoate |
4068-71-7 | 97% | 1g |
503.10 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-II297-200mg |
Methyl 3-bromo-5-chloro-2-hydroxybenzoate |
4068-71-7 | 97% | 200mg |
114.0CNY | 2021-07-12 |
Methyl 3-bromo-5-chloro-2-hydroxybenzoate Related Literature
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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