Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디브로모벤젠(1,3-)
m-다이브로모벤젠 · 디브로모벤젠(1,3-) · m-디브로모벤젠 · M-DIBROMOBENZENE · 1.3-DibroMoben · m-dibromo-benzen · 1,3-dibromo-benzen · 1,3-DIBROMOBENZENE
식별자 및 물리적 특성
| CAS No. | 108-36-1 |
|---|---|
| 분자식 | C6H4Br2 |
| 평균 분자량 | 235.9 g/mol |
| 단동위원소 질량 | 233.86798 g/mol |
| SMILES | Brc1cccc(Br)c1 |
| InChIKey | JSRLURSZEMLAFO-UHFFFAOYSA-N |
| PubChem CID | 7927 |
| ChEBI | CHEBI:37151 |
| EC No. | 203-574-2 |
| DTXSID | DTXSID7051555 |
| 현지명 | 디브로모벤젠(1,3-) |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 64 |
| 증기압 | 0.26 [mmHg]5 mm Hg ( 66 °C) |
| Physical Description | Colorless liquid[MSDSonline] |
| Kovats Retention Index | 1162.2119011971176.51756 |
| 녹는점 | -7 °C (lit.) |
| 끓는 점 | 218-219 °C (lit.) |
| 밀도 | 1.952 g/mL at 25 °C (lit.) |
| 증기 밀도 | 8.16 (vs air) |
| 굴절률 | n20/D 1.608(lit.) |
| 인화점 | 201 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 0.068g/L |
| 물리적 상태 | 액체 |
| 비중 | 1.952 |
| 색상 | 무색투명~연황색 |
| 용해도 | 불용성 |
| BRN | 1904538 |
| 헨리 상수 | 1.2×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 유전율 | 5.0 |
| InChI | 1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H |
| InChIKey | JSRLURSZEMLAFO-UHFFFAOYSA-N |
| SMILES | Brc1cccc(Br)c1 |
| NIST | Benzene, 1,3-dibromo-(108-36-1) |
| EPA | m-Dibromobenzene (108-36-1) |
화학적 성질
clear colourless to light yellow liquid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (87.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 49 reports by companies from 7 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, 1,3-dibromo-1,3-Dibromobenzene: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A skin and eye irritant[eChemPortal: ERMA] An irritant[MSDSonline] See Bromobenzene. See m-Dichlorobenzene. |
| DOT Hazard Classification | 1,3-DibromobenzeneMarine pollutant |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (87.8%) |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| RAIS Toxicity Values | 0.0004SCREEN Current0.004PPRTV Current |
| EPA Provisional Peer-Reviewed Toxicity Values | 1,3-DibromobenzenePDF DocumentInadequate information to assess carcinogenic potential2014 |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 3.10e+014.70e+025.30e+006.0E+01(G)5.10e-034.00e-04 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 9.40e+011.40e+031.60e+016.0E+01 (G)4.00e-04Volatile |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | CZ1790000 |
| 운송 번호(UN) | UN 2711 |
| 독성 | mouse,LD50,intraperitoneal,900mg/kg (900mg/kg),Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(12), Pg. 19, 1979. |
| 관세 코드 | 29036990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi,C |
| 안전 문구(S) | 26-36-24/25 |
| 포장분류 | III |
| 위험 등급 | 3.2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
1,3-Dibromobenzene is used in Suzuki coupling reaction for the preparation of [n]metacyclophanes. It is used to prepare 5-(3-bromo-phenyl)-2,4-di-tert-butoxy-pyrimidine using Pd(0) (PPh3)4 as a reagent. Further, it undergoes solid-supported potassium fluoride-aluminum oxide palladium-catalyzed polyarylation reaction with phenyl boronic acid to get conjugated polyaryls.
일반 설명
1,3-Dibromobenzene undergoes solid-supported [KF-Al2O3] palladium-catalyzed polyarylation reaction with phenyl boronic acid under microwave irradiation to yield conjugated polyaryls.