CAS Number455-70-9
SynonymsMethyl 5-fluoropyridine-3-carboxylate; Methyl 5-fluoronicotinate; 5-Fluoro-3-pyridinecarboxylic acid methyl ester; T6NJ CVO1 EF; 3-Pyridinecarboxylic acid, 5-fluoro-, methyl ester; 5-Fluoropyridine-3-carboxylic acid methyl ester; Methyl 5-fluoro-3-pyridinecarboxylate; Methyl5-fluoropyridine-3-carboxylate
Molecular FormulaC7H6FNO2
Molecular Weight155.13
Purity96+%
Density1.2±0.1 g/cm3
Boiling Point194.5±25.0 °C at 760 mmHg
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 455-70-9 |
| Catalog No. | 2A-0159428 |
| Chinese Name | 5-氟吡啶-3-甲酸甲酯 |
| Synonyms | Methyl 5-fluoropyridine-3-carboxylate; Methyl 5-fluoronicotinate; 5-Fluoro-3-pyridinecarboxylic acid methyl ester; T6NJ CVO1 EF; 3-Pyridinecarboxylic acid, 5-fluoro-, methyl ester; 5-Fluoropyridine-3-carboxylic acid methyl ester; Methyl 5-fluoro-3-pyridinecarboxylate; Methyl5-fluoropyridine-3-carboxylate |
| Molecular Formula | C7H6FNO2 |
| Molecular Weight | 155.13 |
| Purity | 96+ |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 194.5±25.0 °C at 760 mmHg |
| Storage Condition | Room temperature, store in inert gas |
| EINECS | 0 |
| HTC | 2933399090 |
| UN(IATA) | 0 |
| PubChem ID | 10238894 |
| SMILES | COC(=O)c1cncc(F)c1 |
| InChI | InChI=1S/C7H6FNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3 |
| InChI Key | PGCFLXMMCWKPDU-UHFFFAOYSA-N |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C7H6FNO2 Molecular weight:155.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 3-Pyridinecarboxylic acid, 5-fluoro-, methyl ester CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C7-H6-F-N-O2 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : APSXAS Acta Pharmaceutica Suecica. (Apotekarsocieteten-Farmacevtiska Foereningen, Box 1136, S-111, 81 Stockholm, Sweden) V.1- 1964- Volume(issue)/page/year: 9,221,1972 Safety Information HS Code 2933399090 Synthetic Route Methyl 5-aminon... 36052-25-2 Methyl5-fluorop... methyl 5-trifla... 342024-50-4 Methyl5-fluorop... Literature: Lee, Hong Geun; Milner, Phillip J.; Buchwald, Stephen L. Organic Letters, 2013 , vol. 15, # 21 p. 5602 - 5605 diazomethane 186581-53-3 5-Fluoronicotin... Methyl5-fluorop... Literature: Kyba, Evan P.; Liu, Shiuh-Tzung; Chockalingam, Kannappan; Reddy, B. Raghava Journal of Organic Chemistry, 1988 , vol. 53, # 15 p. 3513 - 3521 Precursor & DownStream Precursor 10 CAS#:36052-25-2 Methyl 5-aminon... CAS#:342024-50-4 methyl 5-trifla... CAS#:186581-53-3 diazomethane CAS#:402-66-4 5-Fluoronicotin... DownStream 3 CAS#:39891-04-8 5-Fluoronicotin... CAS#:70-58-6 3-Pyridinecarbo... CAS#:22620-32-2 (5-Fluoro-3-pyr... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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% |
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