Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,4-Dichlorobenzotrifluoride
2,4-DICHLORO-1-(TRIFLUOROMETHYL)BENZENE · 2,4-DCBTF · 1,3-DICHLORO-4- · 2,4-Dichlorobenzotri · Sorafenib Impurity 140 · 4-Dichlorobenzotrifluoride · 2,4-Dichlorbenzotrifluorid · 2,4-dichloro-trifluoroMethyl
식별자 및 물리적 특성
| CAS No. | 320-60-5 |
|---|---|
| 분자식 | C7H3Cl2F3 |
| 평균 분자량 | 215 g/mol |
| 단동위원소 질량 | 213.95639012 g/mol |
| SMILES | FC(F)(F)c1ccc(Cl)cc1Cl |
| InChIKey | KALSHRGEFLVFHE-UHFFFAOYSA-N |
| PubChem CID | 9443 |
| ChEMBL | CHEMBL3185099 |
| EC No. | 206-278-1 |
| DTXSID | DTXSID0047959 |
화학 및 물리적 성질
| XLogP | 4.2 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 157 |
| 물질 분류 | Other Classes -> Halogenated Monoaromatics |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 증기압 | 1.11 [mmHg]1.48hPa at 25℃ |
| Physical Description | Colorless liquid[Sigma-Aldrich MSDS] |
| 녹는점 | -26°C |
| 끓는 점 | 117-118 °C (lit.) |
| 밀도 | 1.484 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.481(lit.) |
| 인화점 | 162 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(소량으로 용해), DMSO(약간 용해됨) |
| 물리적 상태 | 액체 |
| 비중 | 1.484 |
| 색상 | 무색의 |
| 용해도 | 8.67mg/L at 25℃ |
| BRN | 2098743 |
| InChI | 1S/C7H3Cl2F3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H |
| InChIKey | KALSHRGEFLVFHE-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccc(Cl)cc1Cl |
| LogP(분배 계수) | 4.24 |
| NIST | Benzene, 2,4-dichloro-1-(trifluoromethyl)-(320-60-5) |
| EPA | 2,4-Dichlorobenzotrifluoride (320-60-5) |
화학적 성질
Clear colourless liquid
안전 및 규제
| GHS 분류 | DangerH314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Benzene, 2,4-dichloro-1-(trifluoromethyl)-Status: Cease Manufacture Update: 29-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6737 |
| 유해성 요약 | Causes somnolence, tremor, and dyspnea in oral lethal-dose studies of ratsCauses dermatitis in dermal lethal-dose studies of rabbits (lethal-dose > 10,000 mg/kg)[RTECS] An irritant[ECHA REACH Registrations] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (97.9%) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CZ5566877 |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 관세 코드 | 29039990 |
| 위험 문구(R) | 34 |
| 위험 표시 | C,Xi |
| 안전 문구(S) | 26-27-36/37/39-45 |
| 포장분류 | III |
| 위험 등급 | 8Aquatic Chronic 4Eye Dam. 1Skin Corr. 1B |
| 기존화학 물질 | KE-10220 |
| 위험 참고 사항 | Corrosive |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
2,4-Dichlorobenzotrifluoride (2,4-Dichloro-α,α,α-trifluorotoluene ) was one of the compounds present in Niagara River fish identified by gas-liquid chromatographic-mass spectrometry.