Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-Bromo-2,4,6-trifluorobenzene
2-BROMO-1,3,5-TRIFLUOROBENZENE · 1-Bromo-2,4,6-trifL · 1-Bromo-2,4,6-triflu · 2,4,6-TRIFLUOROBROMOBENZENE · 2,4,6-Trifluorovbromobenzene · 2,4,6-Trifluorophenyl bromide · 1-Bromo-2,4,6-trifluorobezene · 1,3,5-Trifluoro-2-bromobenzene
식별자 및 물리적 특성
| CAS No. | 2367-76-2 |
|---|---|
| 분자식 | C6H2BrF3 |
| 평균 분자량 | 210.98 g/mol |
| 단동위원소 질량 | 209.9292 g/mol |
| SMILES | Fc1cc(F)c(Br)c(F)c1 |
| InChIKey | PZBSPSOGEVCRQI-UHFFFAOYSA-N |
| PubChem CID | 75398 |
| EC No. | 219-125-9 |
| DTXSID | DTXSID80178337 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 108 |
| 녹는점 | 3.5 °C (lit.) |
| 끓는 점 | 140.5 °C (lit.) |
| 밀도 | 1.79 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.485(lit.) |
| 인화점 | 137 °F |
| 저장 조건 | Sealed in dry,2-8°C |
| 용해도 | 클로로포름, 에틸아세테이트에 용해됨 |
| 물리적 상태 | 기름 |
| 색상 | 투명 무색~연황색 |
| 비중 | 1.80 |
| BRN | 2502668 |
| InChI | 1S/C6H2BrF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H |
| InChIKey | PZBSPSOGEVCRQI-UHFFFAOYSA-N |
| SMILES | Fc1cc(F)c(Br)c(F)c1 |
| NIST | 1-Bromo-2,4,6-trifluorobenzene(2367-76-2) |
화학적 성질
clear colorless liquid
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 48 reports by companies from 6 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. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.9%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 1993 3/PG 3 |
| 관세 코드 | 29039990 |
| 위험 문구(R) | 36/37/38-10 |
| 위험 표시 | Xi,F |
| 안전 문구(S) | 26-37/39-16 |
| 포장분류 | III |
| 위험 등급 | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| 위험 참고 사항 | Flammable/Irritant |
| 저장 분류 | 3 - Flammable liquids |
용도
일반 설명
1-Bromo-2,4,6-trifluorobenzene exhibits packing polymorphism in two nonidentical solid-state phases. 1-Bromo-2,4,6-trifluorobenzene participates in Pd-catalyzed oxidative Heck reaction with allyl ester.