1-Bromo-2,4-dichlorobenzene
2,4-DICHLOROBROMOBENZENE · 1-Bromo-2,4-dichiorobenzene · BROMO(2-)-4-DICHLOROBENZENE · 2,4-dichloro-1-bromobenzene · 1-Bromo-2,4-dichlorobenzene · Benzene, 1-bromo-2,4-dichloro- · 1-Bromo-2,4-dichlorobenzene >1-Bromo-2,4-dichlorobenzene,99% · 1-Bromo-2,4-dichlorobenzene, 98+%
식별자 및 물리적 특성
| CAS No. | 1193-72-2 |
|---|---|
| 분자식 | C6H3BrCl2 |
| 평균 분자량 | 225.89 g/mol |
| 단동위원소 질량 | 223.87951756 g/mol |
| SMILES | Clc1ccc(Br)c(Cl)c1 |
| InChIKey | ISHYFWKKWKXXPL-UHFFFAOYSA-N |
| PubChem CID | 70947 |
| EC No. | 214-778-6 |
| DTXSID | DTXSID10152408 |
화학 및 물리적 성질
| XLogP | 4.1 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 97.1 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| 녹는점 | 26-30 °C(lit.) |
| 끓는 점 | 235°C |
| 밀도 | 1,89 g/cm3 |
| 굴절률 | 1.5700 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 물리적 상태 | powder to lump to clear liquid |
| 색상 | White or Colorless to Light yellow |
| 용해도 | 물에 약간 용해됩니다. |
| BRN | 1635733 |
| InChI | InChI=1S/C6H3BrCl2/c7-5-2-1-4(8)3-6(5)9/h1-3H |
| InChIKey | ISHYFWKKWKXXPL-UHFFFAOYSA-N |
| SMILES | C1(Br)=CC=C(Cl)C=C1Cl |
화학적 성질
colorless to light yellow crystalline mass or
안전 및 규제
| GHS 분류 | WarningH315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 06-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/28291 |
| Hazard Classes and Categories | Skin Irrit. 2 (97.9%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2810 6.1/PG 1 |
| 관세 코드 | 29039990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36-37/39 |
| 위험 등급 | IRRITANT |
용도
용도
1-Bromo-2,4-dichlorobenzene is used to produce 2,4,4'-trichloro-biphenyl. This reaction will need aq. Na2CO3 and solvents dioxane, ethanol. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.
일반 설명
1-Bromo-2,4-dichlorobenzene is an aryl halide. It can be distinguished from the other bromodichlorobenzene isomers using IR and Raman spectral data. It can undergo Suzuki–Miyaura cross-coupling reaction with arylboronic acids in the presence of different Suzuki catalysts.