Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-플루오로-3-니트로아닐린
4-플루오로-3-니트로아닐린 · 4-플루오로-3-나이트로아닐린 · 3-NITRO-4-FLUOROANILINE · 4-Fluoro-3-nitrobenzenamine · 5-AMINO-2-FLUORONITROBENZENE · 4-F-3NA · uoro-3-nitroaniL · 4-Fluoro-3-nitroanil
식별자 및 물리적 특성
| CAS No. | 364-76-1 |
|---|---|
| 분자식 | C6H5FN2O2 |
| 평균 분자량 | 156.11 g/mol |
| 단동위원소 질량 | 156.03350562 g/mol |
| SMILES | Nc1ccc(F)c([N+](=O)[O-])c1 |
| InChIKey | LLIOADBCFIXIEU-UHFFFAOYSA-N |
| PubChem CID | 67768 |
| ChEBI | CHEBI:48642 |
| EC No. | 206-665-5 |
| DTXSID | DTXSID5052042 |
| 현지명 | 4-플루오로-3-니트로아닐린 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 71.8 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 159 |
| 물질 분류 | Nitrogen Compounds -> Nitroanilines |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | Yellow or gold powder[Alfa Aesar MSDS] |
| Ionization Efficiency | Positive3.652.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| 녹는점 | 94-96 °C (lit.) |
| 끓는 점 | 331.3±22.0 °C(Predicted) |
| 밀도 | 0.43 g/cm3 (20℃) |
| 인화점 | 196 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 2.36±0.10(Predicted) |
| 색상 | 황토색 |
| 용해도 | 불용성 |
| BRN | 2210199 |
| InChI | InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2 |
| InChIKey | LLIOADBCFIXIEU-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(F)C([N+]([O-])=O)=C1 |
| NIST | Benzenamine, 4-fluoro-3-nitro-(364-76-1) |
| EPA | 4-Fluoro-3-nitroaniline (364-76-1) |
화학적 성질
whitetolightyellowcrystalpowde
안전 및 규제
| GHS 분류 | WarningH302 (95.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | 4-Fluoro-3-nitroaniline: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | Causes changes in bladder weight, change in clotting factors, and changes in erythrocyte count in 90-day intermittent oral studies of rats[RTECS] A skin and strong eye irritantToxic by ingestionMay induce methemoglobinemia[Alfa Aesar MSDS] See 4-Chloro-2-nitroaniline, 2-Chloro-5-nitroaniline, and 1-Amino-2-chloro-4-nitrobenzene. |
| Hazard Classes and Categories | Acute Tox. 4 (95.9%) |
| 유해 작용 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Toxicity Data | LC50 (rat) > 200,000 mg/m3/1hr |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | BY1700000 |
| 운송 번호(UN) | UN 1325 4.1/PG 2 |
| 관세 코드 | 29214210 |
| 위험 문구(R) | 20/21/22-36/37/38-22 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 36/37-37/39-26 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Acute Tox. 4 OralAquatic Chronic 2 |
용도
용도
4-Fluoro-3-nitroaniline is used in the preparation of commercial hair dyes. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.