CAS Number114897-91-5
Synonyms(4-Bromo-2-fluorophenyl)acetonitrile; 2-(4-bromo-2-fluorophenyl)acetonitrile; NC1R BF DE; 4-Bromo-2-fluorobenzyl cyanide
Molecular FormulaC8H5N1Br1F1
Molecular Weight214.04
Purity98%%
Density1.6±0.1 g/cm3
Boiling Point281.2±25.0 °C at 760 mmHg
Melting Point52.8-53ºC
AppearanceWhite to beige crystalline powder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 114897-91-5 |
| Catalog No. | 2A-9061155 |
| Chinese Name | 2-氟-4-溴苯乙腈 |
| Synonyms | (4-Bromo-2-fluorophenyl)acetonitrile; 2-(4-bromo-2-fluorophenyl)acetonitrile; NC1R BF DE; 4-Bromo-2-fluorobenzyl cyanide |
| Molecular Formula | C8H5N1Br1F1 |
| Molecular Weight | 214.04 |
| Purity | 98% |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 281.2±25.0 °C at 760 mmHg |
| Melting Point | 52.8-53ºC |
| Appearance | White to beige crystalline powder |
| Storage Condition | Sealed in a cool, dry environment |
| HTC | 2926909090 |
| MDL Number | MFCD07368653 |
| SMILES | N#CCc1ccc(Br)cc1F |
| InChI | InChI=1S/C8H5BrFN/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5H,3H2 |
| InChI Key | QLASQEZPJFNZQC-UHFFFAOYSA-N |
| MSDS | msds/61155_1_114897_91_5.pdf |
| Use of | health and chemical hazard data given on this sheet. 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:No data Melting point: Flash point:No data Molecular formula:C8H5BrFN Molecular weight:214 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 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 Hazard Codes Xn Safety Phrases S26-S36-S37-S39 HS Code 2926909090 Synthetic Route POTASSIUM CYANIDE CAS#:151-50-8 4-Bromo-1-(brom... CAS#:76283-09-5 (4-Bromo-2-fluo... CAS#:114897-91-5 Literature: Sankyo Company, Limited Patent: EP1764075 A1, 2007 ; Location in patent: Page/Page column 104 ; sodium cyanide CAS#:773837-37-9 4-Bromo-1-(brom... CAS#:76283-09-5 (4-Bromo-2-fluo... CAS#:114897-91-5 Literature: Daiichi Sankyo Company, Limited; MORI, Makoto; FUJII, Kunihiko; INUI, Masaharu; BABA, Takayuki; ONISHI, Yukari; AOYAGI, Atsushi Patent: EP2700643 A1, 2014 ; Location in patent: Paragraph 0188 ; Sodium cyanide CAS#:143-33-9 4-Bromo-1-(brom... CAS#:76283-09-5 (4-Bromo-2-fluo... CAS#:114897-91-5 |
| 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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