CAS Number2561-17-3
Synonyms1-Ethynyl-3-fluorobenzene; 1-(1-ethynyl)-3-fluorobenzene; 3-F-phenylacetylene; (3-fluorophenyl)acetylene; 1-fluoro-3-ethynylbenzene; MFCD03093798
Molecular FormulaFC6H4C≡CH
Molecular Weight120.12
Purity98%
Density1.1±0.1 g/cm3
Boiling Point138 °C (lit.)
AppearanceLiquid;Colorless to Light orange to Yellow clear liquid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2561-17-3 |
| Catalog No. | 2A-9028747 |
| Chinese Name | 1-乙炔基-3-氟苯 |
| Synonyms | 1-Ethynyl-3-fluorobenzene; 1-(1-ethynyl)-3-fluorobenzene; 3-F-phenylacetylene; (3-fluorophenyl)acetylene; 1-fluoro-3-ethynylbenzene; MFCD03093798 |
| Molecular Formula | FC6H4C≡CH |
| Molecular Weight | 120.12 |
| Purity | 98 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 138 °C (lit.) |
| Appearance | Liquid;Colorless to Light orange to Yellow clear liquid |
| Storage Condition | Store in airtight, cool and dry place |
| HTC | 2903999090 |
| PubChem ID | 24874078 |
| MDL Number | MFCD03093798 |
| SMILES | Fc1cccc(c1)C#C |
| InChI | 1S/C8H5F/c1-2-7-4-3-5-8(9)6-7/h1,3-6H |
| InChI Key | PTRUTZFCVFUTMW-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/28747_1_2561_17_3.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage:Store in closed vessels, refrigerated. 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: Melting point:No data Flash point:No data Molecular formula: C8H5F Molecular weight: 120.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, 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 Proper shipping name: FLAMMABLE LIQUIDS, N.O.S. (3-Fluorophenylacetylene) 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 GHS02, GHS07 Signal Word Warning Hazard Statements H226-H315-H319-H335 Precautionary Statements P261-P305 + P351 + P338 Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter Hazard Codes Xi:Irritant; Safety Phrases S16-S26-S36 WGK Germany 3 HS Code 2903999090 Synthetic Route m-(2,2-dichloro... CAS#:118527-32-5 1-Ethynyl-3-flu... CAS#:2561-17-3 Literature: Kodaira, Kazuo; Okuhara, Kunio Bulletin of the Chemical Society of Japan, 1988 , vol. 61, # 5 p. 1625 - 1632 [(3-Fluoropheny... CAS#:40230-96-4 1-Ethynyl-3-flu... CAS#:2561-17-3 Literature: Tetrahedron Letters, , p. 5209 - 5212 (Z)-1-(2-bromov... CAS#:115665-64-0 1-Ethynyl-3-flu... CAS#:2561-17-3 Literature: Journal of the American Chemical Society, , vol. 85, p. 3492 - 3496 Precursor & DownStream Precursor 7 CAS#:40230-96-4 [(3-Fluoropheny... CAS#:115665-64-0 (Z)-1-(2-bromov... CAS#:402-63-1 1-(3-Fluorophen... CAS#:350-51-6 3-Fluorostyrene DownStream 10 CAS#:455-38-9 3-Fluorobenzoic acid CAS#:455-36-7 1-(3-Fluorophen... CAS#:350-51-6 3-Fluorostyrene CAS#:446065-20-9 4-(3-FLUOROPHEN... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 5.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
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