Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-Chloro-3-fluoroaniline
BUTTPARK 44\01-95 · 2-CHLORO-3-FLUOROANILINE · 2-Chloro-3-fluoroaniline98% · 2-Chloro-3-fluoroaniline 98% · 2-chloro-3-fluorobenzeneamine · 2-Chloro-3-fluoroaniline, 97% · 2-Chloro-3-fluoroaniline, 95+% · (2-chloro-3-fluoro-phenyl)amine
식별자 및 물리적 특성
| CAS No. | 21397-08-0 |
|---|---|
| 분자식 | C6H5ClFN |
| 평균 분자량 | 145.56 g/mol |
| 단동위원소 질량 | 145.00945506 g/mol |
| SMILES | Nc1cccc(F)c1Cl |
| InChIKey | FJKIADFDXOCBRV-UHFFFAOYSA-N |
| PubChem CID | 88884 |
| EC No. | 244-366-1 |
| DTXSID | DTXSID30175659 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 99.1 |
| 끓는 점 | 210.3±20.0 °C(Predicted) |
| 밀도 | 1.349±0.06 g/cm3(Predicted) |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2–8 °C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 1+-.0.10(Predicted) |
| 색상 | Clear, almost colourless (hint of lime) |
| InChI | InChI=1S/C6H5ClFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2 |
| InChIKey | FJKIADFDXOCBRV-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=CC(F)=C1Cl |
안전 및 규제
| GHS 분류 | WarningH227 (20%): Combustible liquid [Warning Flammable liquids]P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (20%) |
| 관세 코드 | 2921420090 |
| 위험 문구(R) | 23/24/25 |
| 위험 표시 | Xi,T |
| 안전 문구(S) | 36/37/39-45 |
| 위험 참고 사항 | Irritant |
용도
개요
2-Chloro-3-fluoroaniline can be used as an intermediate for organic synthesis. 2-Chloro-3-fluoro nitrobenzene can be produced from 3-fluoro nitrobenzene by chlorination, and then 2-Chloro-3-fluoroaniline is obtained by reduction of nitro, and the reducing agent can be chosen from tin chloride and iron powder.