4-Bromo-2-methylbenzoic acid
- Product Name
- 4-Bromo-2-methylbenzoic acid
- CAS No.
- 68837-59-2
- Chemical Name
- 4-Bromo-2-methylbenzoic acid
- Synonyms
- 4-Bromo-2-methyL;Fluralaner-038;RARECHEM AL BO 0455;4-Bromo-2-methylbenz;4-Bromo-o-toluic acid;Fluralaner Impurity 58;4-Bromo-2-methylbenzoic;5-Bromo-2-carboxytoluene;4-Bromo-2-methylbenzoicaci;4-Brom-2-methylbenzoic acid
- CBNumber
- CB0188342
- Molecular Formula
- C8H7BrO2
- Formula Weight
- 215.04
- MOL File
- 68837-59-2.mol
4-Bromo-2-methylbenzoic acid Property
- Melting point:
- 180-184 °C
- Boiling point:
- 310.1±30.0 °C(Predicted)
- Density
- 1.599±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.63±0.25(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- Insoluble in water.
- BRN
- 2249816
- InChI
- InChI=1S/C8H7BrO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
- InChIKey
- RVCJOGNLYVNRDN-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(Br)C=C1C
- CAS DataBase Reference
- 68837-59-2(CAS DataBase Reference)
Safety
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22-36/37/38
- Safety Statements
- 26-36/37/39-36
- RIDADR
- UN 2811 6.1/PG 3
- WGK Germany
- 3
- Hazard Note
- Harmful
- HazardClass
- IRRITANT
- PackingGroup
- Ⅲ
- HS Code
- 29163990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- 665126
- Product name
- 4-Bromo-2-methylbenzoic acid
- Purity
- 97%
- Packaging
- 5g
- Price
- $84
- Updated
- 2023/06/20
- Product number
- 665126
- Product name
- 4-Bromo-2-methylbenzoic acid
- Purity
- 97%
- Packaging
- 25g
- Price
- $268
- Updated
- 2023/06/20
- Product number
- B3337
- Product name
- 4-Bromo-2-methylbenzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $129
- Updated
- 2025/07/31
- Product number
- B3337
- Product name
- 4-Bromo-2-methylbenzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 25g
- Price
- $643
- Updated
- 2025/07/31
- Product number
- 665126
- Product name
- 4-Bromo-2-methylbenzoic acid
- Purity
- 97%
- Packaging
- 100g
- Price
- $605
- Updated
- 2023/06/20
4-Bromo-2-methylbenzoic acid Chemical Properties,Usage,Production
Chemical Properties
White to brown crystal powde
Uses
A building block which is used in preparation of anthranilic acids possessing antibacterial activity. 4-bromo-2-methylbenzoic acid could be used to synthesis 4-chloro-3'-(2-cyclopentyl-1-oxoisoindolin-5-yl)biphenyl-3-carboxylic acid through Suzuki couplings[1].
Synthesis
67832-11-5
68837-59-2
General procedure for the synthesis of 2-methyl-4-bromobenzoic acid from 4-bromo-2-methylbenzonitrile: 4-bromo-2-methylbenzonitrile (1 mmol) was suspended in water (49 mL) and potassium hydroxide (50 mmol) was added. The reaction mixture was stirred overnight under reflux conditions. Upon completion of the reaction, it was cooled to room temperature and the basic aqueous solution was washed with ethyl acetate (3 x 15 mL) to remove unreacted material. Subsequently, the aqueous phase was acidified to pH < 2 with 6 M hydrochloric acid and the acidified aqueous phase was extracted with ethyl acetate (3 x 15 mL). The organic phases were combined, dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give the white solid product 2-methyl-4-bromobenzoic acid. Yield: 60%. Thin Layer Chromatography (TLC) analysis (unfolding agent: dichloromethane/methanol = 9:1): Rf = 0.46. melting point: 182 °C. 1H-NMR (300 MHz, CD3OD) δ (ppm): 7.80 (d, J = 8.4 Hz, 1H, H-6), 7.48 (s, 1H, H-3), 7.42 (d, J = 8.4 Hz, 1H, H- 5), 2.56 (s, H- 5), 2.56 (s, H- 5), 2.56 (s, H- 5). 5), 2.56 (s, 3H, CH3).
References
[1] Shyama Sidique. “Orally Active Metabotropic Glutamate Subtype 2 Receptor Positive Allosteric Modulators: Structure–Activity Relationships and Assessment in a Rat Model of Nicotine Dependence.” Journal of Medicinal Chemistry 55 22 (2012): 9434–9445.
4-Bromo-2-methylbenzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-Bromo-2-methylbenzoic acid manufacturers
- Product
- 4-Bromo-2-methylbenzoic acid 68837-59-2
- Price
- US $0.00/Kg/Bag
- Min. Order
- 1KG
- Purity
- 98%min
- Supply Ability
- 500KGS
- Release date
- 2021-07-02
- Product
- 4-Bromo-2-methylbenzoic acid 68837-59-2
- Price
- US $3.00/kg
- Min. Order
- 1kg
- Purity
- 0.99
- Supply Ability
- 10000
- Release date
- 2024-08-16
- Product
- 4-Bromo-2-methylbenzoic acid 68837-59-2
- Price
- US $10.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 100 mt
- Release date
- 2024-10-30