4-Bromo-2-fluorobenzoic
4-Bromo-2-fluorobenzoic Acid
CAS: 112704-79-7
Molecular Formula: C7H4BrFO2
4-Bromo-2-fluorobenzoic - Names and Identifiers
| Name | 4-Bromo-2-fluorobenzoic Acid |
| Synonyms | 4-Bromo-2-fluorobenzoic Enzalutamide Impurity 13 4-Bromo-2-fluorobenzoic Acid 4 - broMine - 2 - fluoro benzoic acid |
| CAS | 112704-79-7 |
| EINECS | 630-232-3 |
| InChI | InChI=1/C7H7BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2 |
4-Bromo-2-fluorobenzoic - Physico-chemical Properties
| Molecular Formula | C7H4BrFO2 |
| Molar Mass | 219.01 |
| Density | 1.571g/cm3 |
| Melting Point | 208-213℃ |
| Boling Point | 244.5°C at 760 mmHg |
| Flash Point | 101.7°C |
| Vapor Presure | 0.0302mmHg at 25°C |
| Appearance | White powder |
| Storage Condition | Room Temprature |
| Refractive Index | 1.566 |
| MDL | MFCD00143263 |
| Use | Application 4-bromo-2-fluorobenzoic acid is an organic intermediate, which can be prepared from 2-fluoro-4-bromotoluene by oxidation reaction. It has been reported in the literature to be useful for the preparation of enzalutamide intermediates and Venetoclax key intermediates. |
4-Bromo-2-fluorobenzoic - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection |
4-Bromo-2-fluorobenzoic - Upstream Downstream Industry
4-Bromo-2-fluorobenzoic - Nature
| storage conditions | Sealed in dry,Room Temperature |
| solubility | Solubility in methanol, very faint turbidity. |
| acidity coefficient (pKa) | 3.04±0.10(Predicted) |
| BRN | 6323931 |
| InChIKey | ZQQSRVPOAHYHEL-UHFFFAOYSA-N |
| EPA chemical information | Benzoic acid, 4-bromo-2-fluoro- (112704-79-7) |
Last Update：2024-04-10 22:29:15
4-Bromo-2-fluorobenzoic - Preparation
2-fluorine -4-bromotoluene 25g(132.3mmol,1.0eq),AIBN 521mg(3.2mmol,0.024eq),Co(OAc) 2.4H2O 1.6g(6.5mmol,0.049eq),NaBr 449mg(4.4mmol,0.033eq), dissolved in HOAc 250mL(10V), stirred for full dissolution, and raised the temperature, the coil pressure was adjusted by oxygen to 1.2MPa, and then the feeding was started. The residence time of the system was 1.5h and the oxygen was 3 ~ 5eq. The system is directly pumped into 375mL of purified water, the pH of the system is adjusted to 12~14 with NaOH solid, the water phase is extracted twice with 125mL MTBE, the water phase is adjusted to 1 with concentrated HCl, a large amount of solid is precipitated, and the target product is filtered to 25.5g with 88% yield. 1H-NMR(CDCl3)& delta;:7.38-7.42(m,2H),7.89(t,1H,J = 7.88).
Last Update：2024-04-10 22:29:15
4-Bromo-2-fluorobenzoic - Security information
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HazardClass | IRRITANT |
| customs code | 29163990 |
Last Update：2024-04-10 22:29:15
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View History
Raw Materials for 4-Bromo-2-fluorobenzoic
Downstream Products for 4-Bromo-2-fluorobenzoic
4-Bromo-2-fluoro-N-methylbenzamide
Methyl 4-bromo-2-fluorobenzoate
4-Bromo-2-fluorophenylacetic acid
4-BROMO-2-FLUOROBENZOYL CHLORIDE
4-BROMO-2-FLUOROBENZYL ALCOHOL
Methyl 4-bromo-2-fluorobenzoate
4-Bromo-2-fluorophenylacetic acid
4-BROMO-2-FLUOROBENZOYL CHLORIDE
4-BROMO-2-FLUOROBENZYL ALCOHOL