3-Bromo-5-cyanobenzoic acid
- Product Name
- 3-Bromo-5-cyanobenzoic acid
- CAS No.
- 453566-14-8
- Chemical Name
- 3-Bromo-5-cyanobenzoic acid
- Synonyms
- 3-Bromo-5-cyanobenzoic acid;Benzoic acid, 3-bromo-5-cyano-;3-Bromo-5-cyanobenzoic acid 95%;3-
Bromo- 5- cyanobenzoic acid - CBNumber
- CB71563664
- Molecular Formula
- C8H4BrNO2
- Formula Weight
- 226.03
- MOL File
- 453566-14-8.mol
3-Bromo-5-cyanobenzoic acid Property
- Melting point:
- 182-187 °C
- Boiling point:
- 351.6±32.0 °C(Predicted)
- Density
- 1.82±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder
- pka
- 3.25±0.10(Predicted)
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 702978
- Product name
- 3-Bromo-5-cyanobenzoic acid
- Purity
- 95%
- Packaging
- 250mg
- Price
- $136
- Updated
- 2023/06/20
- Product number
- B292810
- Product name
- 3-Bromo-5-cyanobenzoic acid
- Packaging
- 50mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- B292810
- Product name
- 3-Bromo-5-cyanobenzoic acid
- Packaging
- 100mg
- Price
- $90
- Updated
- 2021/12/16
- Product number
- FB12102
- Product name
- 3-Bromo-5-cyanobenzoic acid
- Packaging
- 500mg
- Price
- $100
- Updated
- 2021/12/16
- Product number
- FB12102
- Product name
- 3-Bromo-5-cyanobenzoic acid
- Packaging
- 250mg
- Price
- $60
- Updated
- 2021/12/16
3-Bromo-5-cyanobenzoic acid Chemical Properties,Usage,Production
Synthesis
453566-15-9
453566-14-8
General procedure for the synthesis of 3-bromo-5-cyanobenzoic acid from methyl 3-bromo-5-cyanobenzoate: to methyl 3-bromo-5-carbamoylbenzoate (2.8 g, 10.8 mmol, 1.0 equiv) was added phosphorous triclorethane (POCl3, 30 mL) and the reaction mixture was heated at 100 °C overnight. Upon completion of the reaction, phosphorous trichloride was removed by distillation under reduced pressure, water was added to the residue and the aqueous phase was extracted with ethyl acetate (EtOAc). The organic extracts were combined, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to give the crude product. The crude product was purified by column chromatography (eluent: petroleum ether/ethyl acetate, 20:1) to afford methyl 3-bromo-5-cyanobenzoate (2.5 g, 96% yield). The ester (2.5 g) was dissolved in tetrahydrofuran (THF, 30 mL) and lithium hydroxide monohydrate (LiOH-H2O, 1.7 g, 41.6 mmol, 1.54 equiv) and water (10 mL) were added. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, THF was removed by distillation under reduced pressure and the aqueous phase was acidified with dilute hydrochloric acid (HCl) and extracted with ethyl acetate (EtOAc). The organic extracts were combined, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure to give the crude product. The crude product was purified by column chromatography (eluent: dichloromethane/methanol, 50:1) to afford 3-bromo-5-cyanobenzoic acid as a white solid (2 g, 85% yield).LC-MS: m/z 248.0, 249.9 [M + Na]+. 1H NMR (400 MHz, DMSO) δ 13.67 (br s, 1H), 8.40 (s, 1H ), 8.24 (s, 1H), 8.24 (s, 1H).
References
[1] Patent: WO2013/37705, 2013, A2. Location in patent: Page/Page column 139
3-Bromo-5-cyanobenzoic acid Preparation Products And Raw materials
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View Lastest Price from 3-Bromo-5-cyanobenzoic acid manufacturers
- Product
- 3-Bromo-5-cyanobenzoic acid 453566-14-8
- Price
- US $1.00/g
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2020-01-08