Cas no 650598-43-9 (Benzoic acid, 2-bromo-4,6-dichloro-)
Benzoic acid, 2-bromo-4,6-dichloro-, is a halogenated aromatic carboxylic acid with the molecular formula C?H?BrCl?O?. This compound is characterized by its distinct substitution pattern, featuring bromine at the 2-position and chlorine atoms at the 4- and 6-positions on the benzene ring. Its structural properties make it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of multiple halogens enhances its reactivity in substitution and coupling reactions, offering versatility in derivatization. The compound exhibits moderate stability under standard conditions, with solubility in common organic solvents, facilitating its use in laboratory and industrial applications. Proper handling is advised due to potential reactivity hazards.
650598-43-9 structure
Product Name:Benzoic acid, 2-bromo-4,6-dichloro-
CAS No:650598-43-9
MF:C7H3BrCl2O2
MW:269.907519578934
CID:409066
PubChem ID:11231019
Update Time:2025-06-07
Benzoic acid, 2-bromo-4,6-dichloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-bromo-4,6-dichloro-
- 2-Bromo-4,6-dichlorobenzoic acid
- FT-0749807
- DTXSID40459538
- TYLORTSVHWJWAD-UHFFFAOYSA-N
- CS-0194381
- 650598-43-9
- E93167
- EN300-6472631
- AKOS024264360
- SCHEMBL3528389
- MFCD27926964
- Z1862025538
-
- MDL: MFCD27926964
- Inchi: 1S/C7H3BrCl2O2/c8-4-1-3(9)2-5(10)6(4)7(11)12/h1-2H,(H,11,12)
- InChI Key: TYLORTSVHWJWAD-UHFFFAOYSA-N
- SMILES: BrC1C=C(C=C(C=1C(=O)O)Cl)Cl
Computed Properties
- Exact Mass: 267.86939
- Monoisotopic Mass: 267.86935g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 188
- 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: 3.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Benzoic acid, 2-bromo-4,6-dichloro- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013022946-250mg |
2-Bromo-4,6-dichlorobenzoic acid |
650598-43-9 | 97% | 250mg |
$504.00 | 2023-09-01 | |
| Alichem | A013022946-500mg |
2-Bromo-4,6-dichlorobenzoic acid |
650598-43-9 | 97% | 500mg |
$782.40 | 2023-09-01 | |
| Alichem | A013022946-1g |
2-Bromo-4,6-dichlorobenzoic acid |
650598-43-9 | 97% | 1g |
$1564.50 | 2023-09-01 | |
| Enamine | EN300-6472631-0.05g |
2-bromo-4,6-dichlorobenzoic acid |
650598-43-9 | 90% | 0.05g |
$205.0 | 2023-07-06 | |
| Enamine | EN300-6472631-0.1g |
2-bromo-4,6-dichlorobenzoic acid |
650598-43-9 | 90% | 0.1g |
$306.0 | 2023-07-06 | |
| Enamine | EN300-6472631-0.25g |
2-bromo-4,6-dichlorobenzoic acid |
650598-43-9 | 90% | 0.25g |
$438.0 | 2023-07-06 | |
| Enamine | EN300-6472631-0.5g |
2-bromo-4,6-dichlorobenzoic acid |
650598-43-9 | 90% | 0.5g |
$691.0 | 2023-07-06 | |
| Enamine | EN300-6472631-1.0g |
2-bromo-4,6-dichlorobenzoic acid |
650598-43-9 | 90% | 1.0g |
$884.0 | 2023-07-06 | |
| Enamine | EN300-6472631-2.5g |
2-bromo-4,6-dichlorobenzoic acid |
650598-43-9 | 90% | 2.5g |
$1735.0 | 2023-07-06 | |
| Enamine | EN300-6472631-5.0g |
2-bromo-4,6-dichlorobenzoic acid |
650598-43-9 | 90% | 5.0g |
$2566.0 | 2023-07-06 |
Benzoic acid, 2-bromo-4,6-dichloro- Related Literature
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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