Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
o-클로로벤조트리플루오라이드
o-클로로벤조트리플루오라이드 · 2-클로로벤조트리플루오라이드 · 2-클로로벤조트라이플루오라이드 · O-CHLOROBENZOTRIFLUORIDE · 1-CHLORO-2-(TRIFLUOROMETHYL)BENZENE · 2-Chloro-alpha · 2-Chlorobenzotrifluo · Chlorobenzotrifluoride
식별자 및 물리적 특성
| CAS No. | 52181-51-8 |
|---|---|
| 분자식 | C7H4ClF3 |
| 평균 분자량 | 180.55 g/mol |
| 단동위원소 질량 | 179.9953623 g/mol |
| SMILES | FC(F)(F)c1ccccc1Cl |
| InChIKey | DGRVQOKCSKDWIH-UHFFFAOYSA-N |
| PubChem CID | 6921 |
| ChEMBL | CHEMBL1301432 |
| EC No. | 201-805-1 |
| DTXSID | DTXSID9024774 |
| 현지명 | o-클로로벤조트리플루오라이드 |
화학 및 물리적 성질
| XLogP | 3.5 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 132 |
| 밀도 | 1.254 @ 30°C1.379 g/mL at 25 °C(lit.) |
| 끓는 점 | 152.2 °C @760 [mm Hg]152 °C(lit.) |
| Kovats Retention Index | 883.4 |
| 녹는점 | -7.4 °C |
| 굴절률 | n20/D 1.456(lit.) |
| 인화점 | 138 °F |
| 저장 조건 | Flammables area |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색~연황색 |
| 비중 | 1.379 |
| 폭발한계 | 1.7%(V) |
| 용해도 | 19.5&C에서 <0.1g/100mL |
| BRN | 510993 |
| 안정성 | 안정적인. 가연성. 강한 산화제, 강한 염기와 호환되지 않습니다. |
| InChI | 1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H |
| InChIKey | DGRVQOKCSKDWIH-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1ccccc1Cl |
| NIST | Benzene, 1-chloro-2-(trifluoromethyl)-(88-16-4) |
| EPA | 2-Chlorobenzotrifluoride (88-16-4) |
화학적 성질
Clear colourless to light yellow liquid
안전 및 규제
| GHS 분류 | WarningH226 (90.8%): Flammable liquid and vapor [Warning Flammable liquids]H302 (76.8%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (88%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (88%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (87.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 284 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Benzene, 1-chloro-2-(trifluoromethyl)-1-Chloro-2-(trifluoromethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Hazard Classes and Categories | Flam. Liq. 3 (90.8%)Acute Tox. 4 (76.8%)Skin Irrit. 2 (88%)Eye Irrit. 2 (88%)STOT SE 3 (87.7%)Flammable agents - 2nd degree, Reactive agents - 1st degree |
| Protective Action Criteria (PAC) | 20 [mg/m3]220 [mg/m3]1300 [mg/m3] |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | XS9141000 |
| 운송 번호(UN) | UN 2234 (CHLOROBENZOTRIFLUORIDES) |
| 관세 코드 | 29036990 |
| 위험 문구(R) | 10-36/37/38-22 |
| 위험 표시 | Xi,F,Xn,N |
| 안전 문구(S) | 26-36-36/37/39-16 |
| 포장분류 | III |
| 위험 등급 | 3Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| 위험 참고 사항 | Flammable/Irritant |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Dye intermediate, chemical intermediate, solvent, and dielectric fluid.