4 - broMine - 2 - fluoro benzoic acid
4-Bromo-2-fluorobenzoic Acid
CAS: 112704-79-7
Molecular Formula: C7H4BrFO2
4 - broMine - 2 - fluoro benzoic acid - 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 - broMine - 2 - fluoro benzoic acid - 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 - broMine - 2 - fluoro benzoic acid - 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 - broMine - 2 - fluoro benzoic acid - Upstream Downstream Industry
4 - broMine - 2 - fluoro benzoic acid - 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 - broMine - 2 - fluoro benzoic acid - 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 - broMine - 2 - fluoro benzoic acid - 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
4 - broMine - 2 - fluoro benzoic acid
1,2-环氧-9-癸烯
1-丙基环丙-1-胺盐酸盐
N-phenylmethylamine
(R)-2-(MethoxyMethyl)Morpholine hydrochloride
telluroxozinc
2-Bromo-5-hydrazinopyrazine
进口美洲 (鳄梨油)基础油
3-Pyrid-4-ylbenzaldehyde
1,2-环氧-9-癸烯
1-丙基环丙-1-胺盐酸盐
N-phenylmethylamine
(R)-2-(MethoxyMethyl)Morpholine hydrochloride
telluroxozinc
2-Bromo-5-hydrazinopyrazine
进口美洲 (鳄梨油)基础油
3-Pyrid-4-ylbenzaldehyde
Raw Materials for 4 - broMine - 2 - fluoro benzoic acid
(2-bromo-6-fluorophenyl)-triethylsilane
4-BROMO-2-FLUOROACETOPHENONE
1,4-DIBROMO-2-FLUOROBENZENE
Sodium chlorite
3-Bromofluorobenzene
4-BROMO-2-FLUOROACETOPHENONE
1,4-DIBROMO-2-FLUOROBENZENE
Sodium chlorite
3-Bromofluorobenzene
Downstream Products for 4 - broMine - 2 - fluoro benzoic acid
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