6-Fluoronicotinic acid
6-Fluoronicotinic acid structure
|
Common Name | 6-Fluoronicotinic acid | ||
|---|---|---|---|---|
| CAS Number | 403-45-2 | Molecular Weight | 141.100 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 309.4±22.0 °C at 760 mmHg | |
| Molecular Formula | C6H4FNO2 | Melting Point | 144-148 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 140.9±22.3 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-Fluoronicotinic 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 309.4±22.0 °C at 760 mmHg |
| Melting Point | 144-148 °C(lit.) |
| Molecular Formula | C6H4FNO2 |
| Molecular Weight | 141.100 |
| Flash Point | 140.9±22.3 °C |
| Exact Mass | 141.022614 |
| PSA | 50.19000 |
| LogP | 0.38 |
| Vapour Pressure | 0.0±0.7 mmHg at 25°C |
| Index of Refraction | 1.542 |
| InChIKey | UJDLCTNVHJEBDG-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(F)nc1 |
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 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2933399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~45%
6-Fluoronicotin... CAS#:403-45-2 |
| Literature: Anderson, Wayne K.; Dean, Dennis C.; Endo, Toshiyasu Journal of Medicinal Chemistry, 1990 , vol. 33, # 6 p. 1667 - 1675 |
|
~%
6-Fluoronicotin... CAS#:403-45-2 |
| Literature: GE HEALTHCARE LIMITED; MEDI-PHYSICS, INC.; CUTHBERTSON, Alan; SOLBAKKEN, Magne Patent: WO2013/48811 A1, 2013 ; Location in patent: Page/Page column 28 ; |
|
~%
6-Fluoronicotin... CAS#:403-45-2
Learn More
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| Literature: Research Foundation Of State University Of New York Patent: US5583148 A1, 1996 ; |
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~%
6-Fluoronicotin... CAS#:403-45-2 |
| Literature: Al Jammaz; Al-Otaibi; Okarvi; Amartey Journal of Labelled Compounds and Radiopharmaceuticals, 2011 , vol. 54, # 6 p. 312 - 317 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 10 | |
CAS#:5006-66-6
CAS#:39891-05-9
CAS#:677728-92-6
CAS#:766-11-0
CAS#:1427-06-1
CAS#:123412-44-2
CAS#:369-50-6
CAS#:74470-40-9
CAS#:676560-01-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Agonist activity at human cloned GPR109a receptor up to 30 uM by forskolin-stimulated...
Source: ChEMBL
Target: Hydroxycarboxylic acid receptor 2
External Id: CHEMBL924063
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6-Fluoronicotinic acid |
| 6-fluoropyridine-3-carboxylic acid |
| MFCD01859863 |
| 2-Fluoro-5-pyridinecarboxylic Acid |
| 6-Fluoro-3-pyridinecarboxylic 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 6-Fluoronicotinic acid? |
| A: LogP of 6-Fluoronicotinic acid is 0.38. |
| Q: What is the InChIKey of 6-Fluoronicotinic acid? |
| A: InChIKey of 6-Fluoronicotinic acid is UJDLCTNVHJEBDG-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 6-Fluoronicotinic acid? |
| A: SMILES notation of 6-Fluoronicotinic acid is O=C(O)c1ccc(F)nc1. |
| Q: What is the safety information for 6-Fluoronicotinic acid? |
| A: Safety information for 6-Fluoronicotinic acid: S26-S36. |
| Q: What English synonyms does 6-Fluoronicotinic acid have? |
| A: English synonyms of 6-Fluoronicotinic acid: 6-Fluoronicotinic acid, 6-fluoropyridine-3-carboxylic acid, MFCD01859863, 2-Fluoro-5-pyridinecarboxylic Acid, 6-Fluoro-3-pyridinecarboxylic acid. |
| Q: What is the boiling point of 6-Fluoronicotinic acid? |
| A: Boiling point of 6-Fluoronicotinic acid is 309.4±22.0 °C at 760 mmHg. |
| Q: What are the downstream products of 6-Fluoronicotinic acid? |
| A: Related downstream products(CAS) of 6-Fluoronicotinic acid: 5006-66-6;39891-05-9;677728-92-6;766-11-0;65352-94-5;1427-06-1;123412-44-2;369-50-6;74470-40-9;676560-01-3. |
| Q: What is the molecular weight of 6-Fluoronicotinic acid? |
| A: Molecular weight of 6-Fluoronicotinic acid is 141.100. |
| Q: What is the polar surface area (PSA) of 6-Fluoronicotinic acid? |
| A: Polar surface area (PSA) of 6-Fluoronicotinic acid is 50.19000. |
| Q: What is the English name of 6-Fluoronicotinic acid? |
| A: The English name of 6-Fluoronicotinic acid is 6-Fluoronicotinic acid. |
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. |