3-Bromo-2-methylbenzoic acid
- CAS No.
- 76006-33-2
- Chemical Name:
- 3-Bromo-2-methylbenzoic acid
- Synonyms
- CL255;3000/75KG DZ;3-Bromo-2-methylbenz;3-Bromo-o-toluic Acid;2-Bromo-6-carboxytoluene;3-BROMO-2-METHYLBENZOIC ACID;Fenoxaprop-ethyl Impurity 15;2-METHYL-3-BROMO BENZOIC ACID;Benzoic acid, 3-bromo-2-methyl-;3-Bromo-2-methylbenzoic acid,97%
- CBNumber:
- CB4400044
- Molecular Formula:
- C8H7BrO2
- Molecular Weight:
- 215.04
- MDL Number:
- MFCD00270097
- MOL File:
- 76006-33-2.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 152-156 °C (lit.) |
|---|---|
| Boiling point | 316.1±30.0 °C(Predicted) |
| Density | 1.599±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Soluble in chloroform, methanol |
| pka | 3.56±0.10(Predicted) |
| form | Powder |
| color | White to orange or brown |
| Sensitive | Light Sensitive/Air Sensitive |
| InChI | InChI=1S/C8H7BrO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11) |
| InChIKey | BJGKVCKGUBYULR-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(Br)=C1C |
| CAS DataBase Reference | 76006-33-2(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H335-H315-H319 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | |||||||||
| PPE | Eyeshields, Gloves, type N95 (US) | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36/37/39-37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 29163990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704 |
|
3-Bromo-2-methylbenzoic acid price More Price(95)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 560162 | 3-Bromo-2-methylbenzoic acid 97% | 76006-33-2 | 5g | $135 | 2026-04-30 | Buy |
| TCI Chemical | B3221 | 3-Bromo-2-methylbenzoic Acid >98.0%(GC)(T) | 76006-33-2 | 5g | $84 | 2026-04-30 | Buy |
| TCI Chemical | B3221 | 3-Bromo-2-methylbenzoic Acid >98.0%(GC)(T) | 76006-33-2 | 25g | $330 | 2026-04-30 | Buy |
| Usbiological | 266248 | 3-Bromo-2-methylbenzoic acid Asreported | 76006-33-2 | 25g | $340 | 2026-06-03 | Buy |
| Usbiological | 266248 | 3-Bromo-2-methylbenzoic acid Asreported | 76006-33-2 | 50g | $509 | 2026-06-03 | Buy |
3-Bromo-2-methylbenzoic acid Chemical Properties,Uses,Production
Chemical Properties
White to orange or brown powder
Uses
3-Bromo-2-methylbenzoic Acid is a disubstituted benzoic acid used in the preparation of various biologically active compounds such as α-2 adrenoceptor agonists, Smoothened receptor anatogonists and HIV-1 entry inhibitors.
Uses
3-Bromo-2-methylbenzoic acid may be used to synthesize 4-(bromoacetyl)isoindolin-1-one and isocoumarins.
Synthesis
124-38-9
69321-60-4
76006-33-2
Example 27 Synthesis of 3-bromo-2-methylbenzoic acid: tert-butyl lithium (t-BuLi, 1.5 M pentane solution, 17 mL) was slowly added to an anhydrous solution of 1,3-dibromo-2-methylbenzene (6.57 g) in anhydrous tetrahydrofuran (THF, 100 mL) under argon gas protection and the reaction temperature was kept at -80 °C. After the dropwise addition was completed, the reaction mixture was stirred between -76 and -78 °C for 2 hours. Subsequently, the mixture was further cooled below -80 °C, dry ice (solid carbon dioxide) was added and the mixture was allowed to warm up naturally to room temperature. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure, 5% aqueous sodium hydroxide (NaOH) solution (40 mL) was added to the residue, and the aqueous phase was washed with dichloromethane (CH2Cl2, 10 mL x 2). The aqueous phase was acidified with concentrated hydrochloric acid (HCl) to pH=1 and then extracted with ethyl acetate (EtOAc, 100 mL x 2). The organic phases were combined and dried with anhydrous sodium sulfate (Na2SO4). After concentration under reduced pressure, the residue was purified by silica gel column chromatography (eluent: petroleum ether/ethyl acetate = 8:1 to 1:1) to afford 3.58 g of the target product, 3-bromo-2-methylbenzoic acid, in 63.4% yield. The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ2.73 (s, 3H), 7.15 (t, J=8.0 Hz, 1H), 7.77 (dd, J=8.0 Hz, J=1.2 Hz, 1H), 7.94 (dd, J=8.0 Hz, J=1.2 Hz, 1H).
References
[1] Patent: US2009/203657, 2009, A1. Location in patent: Page/Page column 49-50
[2] Patent: US2009/203677, 2009, A1. Location in patent: Page/Page column 52; 53
[3] Patent: US2009/197871, 2009, A1. Location in patent: Page/Page column 52
[4] Patent: WO2009/100169, 2009, A1. Location in patent: Page/Page column 129-130
3-Bromo-2-methylbenzoic acid Preparation Products And Raw materials
Raw materials
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Preparation Products
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| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Harvest Chemical Industrial Co., Ltd. | 15721252604 17321035817 | sales@harvest-chem.com | China | 2829 | 64 |
| Changzhou Baokang Pharmaceutical & Chemical Co.,Ltd. | 0519-88787018 15261192718 | sales@baokangchem.com | China | 91 | 60 |
| Shandong Vantage Specialty Chemicals Biotechnology Co., Ltd. | 13396369453 18678026865 | sdfantai@163.com | China | 904 | 58 |
| Shandong Xibang Biological Technology Development Co. LTD | 0536-3611186 15063661551 | 196056703@qq.com | China | 58 | 58 |
| Wuhan Beileye Biomedical Technology Co., Ltd. | 18086118078 | 2696158611@qq.com | China | 4271 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| 3B Pharmachem (Wuhan) International Co.,Ltd. | 18930552037 | 3bsc@sina.com | China | 15813 | 69 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TAIYUAN RHF CO.,LTD. | +86 351 7031519 | sales@RHFChem.com | China | 2334 | 56 |
View Lastest Price from 3-Bromo-2-methylbenzoic acid manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-05-18 | 3-Bromo-2-methylbenzoic acid
76006-33-2
|
1kg | 98% | Hefei Lbao Physical & Chemical Science Co.,Ltd | |||
 |
2019-07-06 | 3-Bromo-2-methylbenzoic acid
76006-33-2
|
$7.00 | 1KG | 99% | 1000lkg | Career Henan Chemical Co |
-
- 3-Bromo-2-methylbenzoic acid
76006-33-2
- $0.00
- 98%
- Hefei Lbao Physical & Chemical Science Co.,Ltd
-
- 3-Bromo-2-methylbenzoic acid
76006-33-2
- $7.00
- 99%
- Career Henan Chemical Co
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