2-Bromo-4-fluorobenzoic acid
2-Bromo-4-fluorobenzoic acid structure
|
Common Name | 2-Bromo-4-fluorobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 1006-41-3 | Molecular Weight | 219.008 | |
| Density | 1.8±0.1 g/cm3 | Boiling Point | 294.3±25.0 °C at 760 mmHg | |
| Molecular Formula | C7H4BrFO2 | Melting Point | 172-176 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 131.8±23.2 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Bromo-4-fluorobenzoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 294.3±25.0 °C at 760 mmHg |
| Melting Point | 172-176 °C(lit.) |
| Molecular Formula | C7H4BrFO2 |
| Molecular Weight | 219.008 |
| Flash Point | 131.8±23.2 °C |
| Exact Mass | 217.937866 |
| PSA | 37.30000 |
| LogP | 2.31 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.583 |
| InChIKey | RRKPMLZRLKTDQV-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(F)cc1Br |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S37/39 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2916399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~48%
2-Bromo-4-fluor... CAS#:1006-41-3 |
| Literature: Mei, Tian-Sheng; Giri, Ramesh; Maugel, Nathan; Yu, Jin-Quan Angewandte Chemie - International Edition, 2008 , vol. 47, # 28 p. 5215 - 5219 |
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~%
2-Bromo-4-fluor... CAS#:1006-41-3 |
| Literature: Collection of Czechoslovak Chemical Communications, , vol. 40, # 3 p. 719 - 737 |
|
~%
2-Bromo-4-fluor... CAS#:1006-41-3 |
| Literature: Journal of Organic Chemistry, , vol. 28, p. 1759 - 1762 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 10 | |
CAS#:36282-26-5
CAS#:446-32-2
CAS#:653-92-9
CAS#:59142-68-6
CAS#:1006-40-2
CAS#:1036389-83-9
CAS#:289038-14-8
CAS#:229027-89-8
CAS#:1203662-37-6This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2916399090 |
|---|---|
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Radiosynthesis and in vivo evaluation of 1-[18F]fluoroelacridar as a positron emission tomography tracer for P-glycoprotein and breast cancer resistance protein.
Bioorg. Med. Chem. 19(7) , 2190-8, (2011) Aim of this study was to label the potent dual P-glycoprotein (Pgp) and breast cancer resistance protein (BCRP) inhibitor elacridar (1) with (18)F to provide a positron emission tomography (PET) radio... |
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Regioselective copper-catalyzed amination of bromobenzoic acids using aliphatic and aromatic amines.
J. Org. Chem. 71(8) , 3270-3, (2006) A chemo- and regioselective copper-catalyzed cross-coupling procedure for amination of 2-bromobenzoic acids is described. The method eliminates the need for acid protection and produces N-aryl and N-a... |
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Rapid synthesis and zebrafish evaluation of a phenanthridine-based small molecule library.
Org. Biomol. Chem. 9(7) , 2233-9, (2011) A Heck cyclisation approach is described for the rapid synthesis of a library of natural product-like small molecules, based on the phenanthridine core. The synthesis of a range of substituted benzyla... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Fluor-2-brom-benzoesaeure |
| 2-bromo-4-fluoro-benzoic acid |
| 2-bromo-4-fluorobenzioc acid |
| 4-fluoro-2-bromo-benzoic acid |
| RARECHEM AL BO 1996 |
| 3-Bromo-4-fluorobenzoic acid |
| 2-Bromo-4-Fluorobenzoic |
| 2-Brom-4-fluor-benzoesaeure |
| 2-Bromo-4-fluorobenzoicacid |
| MFCD00055370 |
| 2-Bromo-4-fluorobenzoic acid |
| 2-Bromofluorobenzoic Acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 2-Bromo-4-fluorobenzoic acid? |
| A: Boiling point of 2-Bromo-4-fluorobenzoic acid is 294.3±25.0 °C at 760 mmHg. |
| Q: What is the CAS number of 2-Bromo-4-fluorobenzoic acid? |
| A: CAS number of 2-Bromo-4-fluorobenzoic acid is 1006-41-3. |
| Q: What English synonyms does 2-Bromo-4-fluorobenzoic acid have? |
| A: English synonyms of 2-Bromo-4-fluorobenzoic acid: 4-Fluor-2-brom-benzoesaeure, 2-bromo-4-fluoro-benzoic acid, 2-bromo-4-fluorobenzioc acid, 4-fluoro-2-bromo-benzoic acid, RARECHEM AL BO 1996, 3-Bromo-4-fluorobenzoic acid, 2-Bromo-4-Fluorobenzoic, 2-Brom-4-fluor-benzoesaeure, 2-Bromo-4-fluorobenzoicacid, MFCD00055370, 2-Bromo-4-fluorobenzoic acid, 2-Bromofluorobenzoic Acid. |
| Q: What is the melting point of 2-Bromo-4-fluorobenzoic acid? |
| A: Melting point of 2-Bromo-4-fluorobenzoic acid is 172-176 °C(lit.). |
| Q: What is the safety information for 2-Bromo-4-fluorobenzoic acid? |
| A: Safety information for 2-Bromo-4-fluorobenzoic acid: S26-S36-S37/39. |
| Q: What is the molecular weight of 2-Bromo-4-fluorobenzoic acid? |
| A: Molecular weight of 2-Bromo-4-fluorobenzoic acid is 219.008. |
| Q: What is the polar surface area (PSA) of 2-Bromo-4-fluorobenzoic acid? |
| A: Polar surface area (PSA) of 2-Bromo-4-fluorobenzoic acid is 37.30000. |
| Q: What is the InChIKey of 2-Bromo-4-fluorobenzoic acid? |
| A: InChIKey of 2-Bromo-4-fluorobenzoic acid is RRKPMLZRLKTDQV-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 2-Bromo-4-fluorobenzoic acid? |
| A: Molecular formula of 2-Bromo-4-fluorobenzoic acid is C7H4BrFO2. |
| Q: What is the SMILES notation of 2-Bromo-4-fluorobenzoic acid? |
| A: SMILES notation of 2-Bromo-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1Br. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |