CAS Number179898-34-1
Synonyms3-fluoro-5-bromobenzonitrile; 3-Bromo-5-fluorobenzonitrile; 3-bromo-5-fluorobenzenecarbonitrile; Benzonitrile,3-bromo-5-fluoro; 5-bromo-3-fluorobenzenecarbonitrile; 3-bromo-5-fluorobenzenenitrile; 5-bromo-3-fluorobenzonitrile; NCR CF EE; MFCD04038227; 3-bromo 5-fluorobenzonitrile
Molecular FormulaC7H3BrFN
Molecular Weight200.008
Purity98%
Density1.7±0.1 g/cm3
Boiling Point218.7±20.0 °C at 760 mmHg
Melting Point43 °C
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 179898-34-1 |
| Catalog No. | 2A-9004246 |
| Chinese Name | 3-溴-5-氟苯腈 |
| Synonyms | 3-fluoro-5-bromobenzonitrile; 3-Bromo-5-fluorobenzonitrile; 3-bromo-5-fluorobenzenecarbonitrile; Benzonitrile,3-bromo-5-fluoro; 5-bromo-3-fluorobenzenecarbonitrile; 3-bromo-5-fluorobenzenenitrile; 5-bromo-3-fluorobenzonitrile; NCR CF EE; MFCD04038227; 3-bromo 5-fluorobenzonitrile |
| Molecular Formula | C7H3BrFN |
| Molecular Weight | 200.008 |
| Purity | 98 |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 218.7±20.0 °C at 760 mmHg |
| Melting Point | 43 °C |
| Storage Condition | Storage: Sealed, cool, ventilated and dry |
| Packaging | III |
| HTC | 2926909090 |
| SMILES | N#Cc1cc(F)cc(Br)c1 |
| InChI Key | IADLVSLZPQYXIF-UHFFFAOYSA-N |
| Hazard Symbols | 6.1 |
| MSDS | msds/4246_1_179898_34_1.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage: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:No data Flash point:No data Molecular formula:C7H3BrFN Molecular weight:200 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, hydrogen bromide. 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: NITRILES, TOXIC, SOLID, N.O.S. (3-Bromo-5-fluorobenzonitrile) 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 Hazard Codes T: Toxic;Xi: Irritant; RIDADR 3439 Packaging Group III Hazard Class 6.1 HS Code 2926909090 Synthetic Route 1,3-Dibromo-5-f... CAS#:1435-51-4 3-Bromo-5-fluor... CAS#:179898-34-1 Literature: Ligand Pharmaceuticals Incorporated Patent: US5693646 A1, 1997 ; US 5693646 A 1,3-Dibromo-5-f... CAS#:1435-51-4 Copper cyanide CAS#:544-92-3 3-Bromo-5-fluor... CAS#:179898-34-1 Literature: Journal of Medicinal Chemistry, , vol. 41, # 18 p. 3461 - 3466 3-fluoro-5-brom... CAS#:304876-25-3 3-Bromo-5-fluor... CAS#:179898-34-1 Literature: American Home Products Corporation; Ligand Pharmaceuticals, Inc. Patent: US6355648 B1, 2002 ; Location in patent: Page column 34 ; US 6355648 B1 Precursor & DownStream Precursor 5 CAS#:1435-51-4 1,3-Dibromo-5-f... CAS#:544-92-3 Copper cyanide CAS#:933585-20-7 3-bromo-5-fluor... CAS#:176548-70-2 3-Bromo-5-fluor... DownStream 7 CAS#:334792-52-8 methyl3-bromo-5... CAS#:867366-91-4 3-Bromo-5-metho... CAS#:1003708-42-6 3-Fluoro-5-form... CAS#:176548-70-2 3-Bromo-5-fluor... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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