Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile
5-AMINO-1-(2,6-DICHLORO-4-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOLE-3-CARBONITRILE · 5-Amino-3-cyano-(2,6-dichloro-4-trifluoromethyl-phenyl)pyrazole · Pyrazole ring · Pyrazole core · Arylpyrazolenitrile · 5-Amino-3-cyano-1-(2 · FIPRONIL INTERMEDIATE · Fipronil DetrifluoroMethylsulfinyl
식별자 및 물리적 특성
| CAS No. | 120068-79-3 |
|---|---|
| 분자식 | C11H5Cl2F3N4 |
| 평균 분자량 | 321.08 g/mol |
| 단동위원소 질량 | 319.9843361 g/mol |
| SMILES | N#Cc1cc(N)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1 |
| InChIKey | QPZYPAMYHBOUTC-UHFFFAOYSA-N |
| PubChem CID | 3303913 |
| EC No. | 421-240-6 |
| DTXSID | DTXSID20391260 |
화학 및 물리적 성질
| XLogP | 3.7 |
|---|---|
| 극성 표면적 | 67.6 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 398 |
| 녹는점 | 132-141 °C |
| 끓는 점 | 433.0±45.0 °C(Predicted) |
| 밀도 | 1.65±0.1 g/cm3(Predicted) |
| 저장 조건 | under inert gas (nitrogen or Argon) at 2–8 °C |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | -1.27±0.14(Predicted) |
| 색상 | 밝은 노란색에서 밝은 갈색까지 |
| InChI | InChI=1S/C11H5Cl2F3N4/c12-7-1-5(11(14,15)16)2-8(13)10(7)20-9(18)3-6(4-17)19-20/h1-3H,18H2 |
| InChIKey | QPZYPAMYHBOUTC-UHFFFAOYSA-N |
| SMILES | N1(C2=C(Cl)C=C(C(F)(F)F)C=C2Cl)C(N)=CC(C#N)=N1 |
안전 및 규제
| GHS 분류 | H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)WarningH302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
|---|---|
| 규제 정보 | Status: Active Update: 30-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19660Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8495 |
| Hazard Classes and Categories | Acute Tox. 4 (33.3%)Skin Irrit. 2 (33.3%)Eye Irrit. 2 (33.3%)Aquatic Chronic 2 (100%)Hazardous to the aquatic environment (chronic) - category 2Aquatic Chronic 2 |
| 관세 코드 | 2933.19.4300 |
| 기존화학 물질 | 2015-3-6373 |
용도
용도
Fipronil Detrifluoromethylsulfinyl is an intermediate in the synthesis of Fipronil (F342200), which is a GABA receptor antagonists and insecticides.