Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-(2,6-Difluorophenyl)ethan-1-one
TIMTEC-BB SBB006686 · 2,6-DIFLUOROACETOPHENONE · 2',6'-difluoroacetophenone · 2',6'-Difluoroacetophenone>2',6'-Difluoroacetophenone98% · Acetophenone, 2',6'-difluoro- · 1-(2,6-Difluorophenyl)ethanone · 2',6'-Difluoroacetophenone 98% · Benzamide,4-(1,4-dimethylethyl)-
식별자 및 물리적 특성
| CAS No. | 13670-99-0 |
|---|---|
| 분자식 | C8H6F2O |
| 평균 분자량 | 156.13 g/mol |
| 단동위원소 질량 | 156.03867113 g/mol |
| SMILES | CC(=O)c1c(F)cccc1F |
| InChIKey | VGIIILXIQLXVLC-UHFFFAOYSA-N |
| PubChem CID | 83643 |
| EC No. | 237-151-9 |
| DTXSID | DTXSID10159891 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 148 |
| 녹는점 | 52-55°C |
| 끓는 점 | 76-79 °C15 mm Hg(lit.) |
| 밀도 | 1.197 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.48(lit.) |
| 인화점 | 170 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨) |
| 물리적 상태 | 액체 |
| 비중 | 1.197 |
| 색상 | 무색투명~미황색 |
| 용해도 | 물에 약간 용해됩니다. |
| BRN | 2046068 |
| InChI | InChI=1S/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3 |
| InChIKey | VGIIILXIQLXVLC-UHFFFAOYSA-N |
| SMILES | C1C(F)=C(C(=O)C)C(F)=CC=1 |
| NIST | Ethanone, 1-(2,6-difluorophenyl)-(13670-99-0) |
화학적 성질
Clear colourless to light yellow liquid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (98%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29147000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36/37/39 |
| 위험 등급 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
2,6-Difluoroacetophenone was used in the synthesis of 2-amino-4-alkyl- and 2-amino-4-arylquinazolines.
일반 설명
2′,6′-Difluoroacetophenone undergoes ruthenium-catalyzed phenylation with phenylboronate via carbon-fluorine bond cleavage to yield 2′,6′-diphenylacetophenone.