Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-플루오로-2-니트로페놀
4-플루오로-2-나이트로페놀 · 4-플루오로-2-니트로페놀 · 4-FLUORO-2-NITROPHENOL · 2-NITRO-4-FLUOROPHENOL · 4-Fluoro-2-nitrophenol>Phenol, 4-fluoro-2-nitro- · 4-Fluoro-2-nitrophenol99% · 4-Fluoro-2-nitrophenol 99% · 4-fluoro-2-nitrobenzophenol
식별자 및 물리적 특성
| CAS No. | 394-33-2 |
|---|---|
| 분자식 | C6H4FNO3 |
| 평균 분자량 | 157.1 g/mol |
| 단동위원소 질량 | 157.01752121 g/mol |
| SMILES | O=[N+]([O-])c1cc(F)ccc1O |
| InChIKey | ZHRLVDHMIJDWSS-UHFFFAOYSA-N |
| PubChem CID | 136236 |
| EC No. | 628-200-9 |
| DTXSID | DTXSID2075348 |
| 현지명 | 4-플루오로-2-니트로페놀 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 66.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 158 |
| 물질 분류 | Nitrogen Compounds -> Nitrophenols |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Gold powder[Sigma-Aldrich MSDS] |
| 녹는점 | 75-77 °C (lit.) |
| 끓는 점 | 234.1±20.0 °C(Predicted) |
| 밀도 | 1.4306 (estimate) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 6.76±0.14(Predicted) |
| 색상 | Orange to Green to Amber |
| BRN | 1950412 |
| InChI | InChI=1S/C6H4FNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H |
| InChIKey | ZHRLVDHMIJDWSS-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(F)C=C1[N+]([O-])=O |
| NIST | 4-Fluoro-2-nitrophenol(394-33-2) |
| EPA | 4-Fluoro-2-nitrophenol (394-33-2) |
화학적 성질
yellow crystalline powder
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 유해성 요약 | A skin and strong eye irritantProlonged or repeated exposure may cause eye injuryHarmful by ingestion and skin absorption[Sigma-Aldrich MSDS] See 2-Nitrophenol. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29089000 |
| 위험 문구(R) | 20/21/22-36/37/38 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 26-36-37/39 |
| 위험 등급 | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
4-Fluoro-2-nitrophenol may be used in the preparation of 5-fluoro-2-methoxyanilineand 5-fluoro-2-hydroxyaniline.
일반 설명
4-Fluoro-2-nitrophenol is formed during iron(III) nitrate nonahydrate activated by tungstophosphoric acid cesium salt catalyzed nitration of 4-fluorophenol.