3-Bromo-2-methylbenzoic acid
- Product Name
- 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
- Formula Weight
- 215.04
- MOL File
- 76006-33-2.mol
3-Bromo-2-methylbenzoic acid Property
- 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)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36/37/39-37/39
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 29163990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- 560162
- Product name
- 3-Bromo-2-methylbenzoic acid
- Purity
- 97%
- Packaging
- 5g
- Price
- $127
- Updated
- 2025/07/31
- Product number
- B3221
- Product name
- 3-Bromo-2-methylbenzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $76
- Updated
- 2025/07/31
- Product number
- B3221
- Product name
- 3-Bromo-2-methylbenzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 25g
- Price
- $300
- Updated
- 2025/07/31
- Product number
- B685255
- Product name
- 3-Bromo-2-methylbenzoic acid
- Packaging
- 25g
- Price
- $70
- Updated
- 2021/12/16
- Product number
- HCH0021217
- Product name
- 2-METHYL-3-BROMO BENZOIC ACID
- Purity
- 95.00%
- Packaging
- 5G
- Price
- $120.75
- Updated
- 2021/12/16
3-Bromo-2-methylbenzoic acid Chemical Properties,Usage,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
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View Lastest Price from 3-Bromo-2-methylbenzoic acid manufacturers
- Product
- 3-Bromo-2-methylbenzoic acid 76006-33-2
- Price
- US $10.00/KG
- Min. Order
- 1KG
- Purity
- 99.99
- Supply Ability
- 10Ton
- Release date
- 2021-03-04
- Product
- 3-Bromo-2-methylbenzoic acid 76006-33-2
- Price
- US $7.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 1000lkg
- Release date
- 2018-08-20