2-Chloro-4-fluorobenzoic acid structure
|
Common Name | 2-Chloro-4-fluorobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 2252-51-9 | Molecular Weight | 174.557 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 271.9±20.0 °C at 760 mmHg | |
| Molecular Formula | C7H4ClFO2 | Melting Point | 181-183 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 118.2±21.8 °C | |
| Symbol |
GHS05, GHS07 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Chloro-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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 271.9±20.0 °C at 760 mmHg |
| Melting Point | 181-183 °C(lit.) |
| Molecular Formula | C7H4ClFO2 |
| Molecular Weight | 174.557 |
| Flash Point | 118.2±21.8 °C |
| Exact Mass | 173.988388 |
| PSA | 37.30000 |
| LogP | 1.77 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.558 |
| InChIKey | GRPWQLDSGNZEQE-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(F)cc1Cl |
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 |
GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H315-H318-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xi:Irritant |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36/37/39-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.
|
~91%
2-Chloro-4-fluo... CAS#:2252-51-9 |
| Literature: Wheeler, Thomas N.; Craig, Todd A.; Morland, Robert B.; Ray, John, A. Synthesis, 1987 , # 10 p. 883 - 887 |
|
~%
2-Chloro-4-fluo... CAS#:2252-51-9 |
| Literature: Journal of the Chemical Society, , p. 2784 - 2787 |
|
~%
2-Chloro-4-fluo... CAS#:2252-51-9 |
| Literature: Journal of the Chemical Society, , p. 2784 - 2787 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 10 | |
This 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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Synthesis and evaluation of novel benzothiazole derivatives against human cervical cancer cell lines. Kini S, et al.
Indian J. Pharm. Sci. 69(1) , 46, (2007)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| QVR BG DF |
| 2-Chloro-4-fluorobenzoic acid |
| Benzoic acid,2-chloro-4-fluoro |
| EINECS 218-845-0 |
| MFCD00010615 |
| 2-Cl-4-FHBA |
| 2-choro-4-fluorobenzoic acid |
| 2-Chlor-4-fluor-benzoesaeure |
| 2-chloro-4-fluoro-benzoic acid |
| 4-fluoro-2-chloro-benzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 2-Chloro-4-fluorobenzoic acid? |
| A: LogP of 2-Chloro-4-fluorobenzoic acid is 1.77. |
| Q: What are the upstream materials of 2-Chloro-4-fluorobenzoic acid? |
| A: Related upstream materials(CAS) of 2-Chloro-4-fluorobenzoic acid: 452-73-3;625-98-9;700-35-6. |
| Q: What is the CAS number of 2-Chloro-4-fluorobenzoic acid? |
| A: CAS number of 2-Chloro-4-fluorobenzoic acid is 2252-51-9. |
| Q: What is the melting point of 2-Chloro-4-fluorobenzoic acid? |
| A: Melting point of 2-Chloro-4-fluorobenzoic acid is 181-183 °C(lit.). |
| Q: What is the polar surface area (PSA) of 2-Chloro-4-fluorobenzoic acid? |
| A: Polar surface area (PSA) of 2-Chloro-4-fluorobenzoic acid is 37.30000. |
| Q: What is the English name of 2-Chloro-4-fluorobenzoic acid? |
| A: The English name of 2-Chloro-4-fluorobenzoic acid is 2-Chloro-4-fluorobenzoic acid. |
| Q: What is the SMILES notation of 2-Chloro-4-fluorobenzoic acid? |
| A: SMILES notation of 2-Chloro-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1Cl. |
| Q: What is the boiling point of 2-Chloro-4-fluorobenzoic acid? |
| A: Boiling point of 2-Chloro-4-fluorobenzoic acid is 271.9±20.0 °C at 760 mmHg. |
| Q: What English synonyms does 2-Chloro-4-fluorobenzoic acid have? |
| A: English synonyms of 2-Chloro-4-fluorobenzoic acid: QVR BG DF, 2-Chloro-4-fluorobenzoic acid, Benzoic acid,2-chloro-4-fluoro, EINECS 218-845-0, MFCD00010615, 2-Cl-4-FHBA, 2-choro-4-fluorobenzoic acid, 2-Chlor-4-fluor-benzoesaeure, 2-chloro-4-fluoro-benzoic acid, 4-fluoro-2-chloro-benzoic acid. |
| Q: What are the downstream products of 2-Chloro-4-fluorobenzoic acid? |
| A: Related downstream products(CAS) of 2-Chloro-4-fluorobenzoic acid: 456-22-4;65-85-0;85953-29-3;21900-54-9;625-98-9;76568-02-0;128992-62-1;101329-81-1;101329-82-2;154639-75-5. |
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. |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |