CAS Number887035-89-4
Synonyms1-(4-Fluorophenyl)-5-methyl-1,2,3-triazole-4-carboxylic Acid; 1-(4-Fluoro-phenyl)-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid; 1-(4-Fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Molecular FormulaC10H8FN3O2
Molecular Weight217.22
Purity96+%
Density1.44±0.1 g/cm3
Melting Point187-188 ºC (ethanol )
Appearancesolid
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 887035-89-4 |
| Catalog No. | 2A-0105727 |
| Chinese Name | 1-(4-氟苯基)-5-甲基-1,2,3-三唑-4-甲酸 |
| Synonyms | 1-(4-Fluorophenyl)-5-methyl-1,2,3-triazole-4-carboxylic Acid; 1-(4-Fluoro-phenyl)-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid; 1-(4-Fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Formula | C10H8FN3O2 |
| Molecular Weight | 217.22 |
| Purity | 96+ |
| Density | 1.44±0.1 g/cm3 |
| Melting Point | 187-188 ºC (ethanol ) |
| Appearance | solid |
| Water Solubility | Very slightly soluble (0.58 g/L) (25 ºC) |
| Storage Condition | room temperature, dry |
| EINECS | 0 |
| HTC | 2933990090 |
| UN(IATA) | 0 |
| PubChem ID | 329789324 |
| MDL Number | MFCD06411557 |
| SMILES | Cc1c(nnn1Cc2ccccc2)C(O)=O |
| InChI | 1S/C11H11N3O2/c1-8-10(11(15)16)12-13-14(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16) |
| InChI Key | WIULYDQJIFTHIK-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352106 |
| MSDS | msds/105727_1_887035_89_4.pdf |
| 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:C10H8FN3O2 Molecular weight:221.2 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 Safety Information HS Code 2933990090 Synthetic Route 1-(4-fluoro-phe... CAS#:1147216-22-5 1-(4-Fluorophen... CAS#:887035-89-4 1-(4-fluorophen... CAS#:1182710-58-2 1-(4-Fluorophen... CAS#:887035-89-4 1-Azido-4-fluor... CAS#:3296-02-4 Ethyl acetoacetate CAS#:141-97-9 1-(4-Fluorophen... CAS#:887035-89-4 Literature: Obushak; Pokhodylo; Pidlypnyi; Matiichuk Russian Journal of Organic Chemistry, 2008 , vol. 44, # 10 p. 1522 - 1527 Precursor & DownStream Precursor 5 CAS#:1147216-22-5 1-(4-fluoro-phe... CAS#:1182710-58-2 1-(4-fluorophen... CAS#:3296-02-4 1-Azido-4-fluor... CAS#:141-97-9 Ethyl acetoacetate DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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