Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
브로모사이클로헥산
브로모사이클로헥산 · 브로모시클로헥산 · 브로모사이클로헥세인 · CYCLOHEXYL BROMIDE · Cyclohexylbromid · 1-Bromocyclohexane · Bromocylohexane · BROMOCYCLOHEXANE
식별자 및 물리적 특성
| CAS No. | 108-85-0 |
|---|---|
| 분자식 | C6H11Br |
| 평균 분자량 | 163.06 g/mol |
| 단동위원소 질량 | 162.00441 g/mol |
| SMILES | BrC1CCCCC1 |
| InChIKey | AQNQQHJNRPDOQV-UHFFFAOYSA-N |
| PubChem CID | 7960 |
| EC No. | 203-622-2 |
| DTXSID | DTXSID1044148 |
| 현지명 | 브로모사이클로헥산 |
화학 및 물리적 성질
| XLogP | 3.2 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 46 |
| 증기압 | 3.62 [mmHg] |
| Physical Description | Liquid with a penetrating odor[Merck Index] Colorless liquid with an unpleasant odor[Acros Organics MSDS] |
| Kovats Retention Index | 9691023970.2975984100913031288 |
| 녹는점 | -57°C |
| 끓는 점 | 166-167 °C (lit.) |
| 밀도 | 1.324 g/mL at 25 °C (lit.) |
| 증기 밀도 | 5.62 (vs air) |
| 굴절률 | n20/D 1.495(lit.) |
| 인화점 | 145 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 에탄올, 에테르, 아세톤, 벤젠 및 사염화탄소와 혼합 가능합니다. |
| 물리적 상태 | 액체 |
| 비중 | approximate 1.33 (20℃) |
| 색상 | 무색투명~연황색 |
| 냄새 | 불쾌한 냄새 |
| 용해도 | 불용성 |
| Merck | 14,2730 |
| BRN | 1098373 |
| 헨리 상수 | 7.0×10-3 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| 유전율 | 7.9(25℃) |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제, 강한 염기와 호환되지 않습니다. |
| InChI | 1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2 |
| InChIKey | AQNQQHJNRPDOQV-UHFFFAOYSA-N |
| SMILES | BrC1CCCCC1 |
| NIST | Cyclohexane, bromo-(108-85-0) |
| EPA | Cyclohexane, bromo- (108-85-0) |
화학적 성질
colourless liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.WarningH227 (11.1%): Combustible liquid [Warning Flammable liquids]H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (22.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 9 reports by companies.There are 4 notifications provided by 7 of 9 reports by companies with hazard statement code(s).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: Cyclohexane, bromo-Status: Active Update: 06-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17906Cyclohexane, bromo-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | May cause irritation[Acros Organics MSDS] See Chlorocyclohexane. See 1-Bromohexane. |
| Hazard Classes and Categories | Flam. Liq. 4 (11.1%)Skin Irrit. 2 (66.7%)Eye Irrit. 2A (66.7%)STOT SE 3 (66.7%)Aquatic Chronic 2 (22.2%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | GU7171700 |
| 관세 코드 | 29035990 |
| 위험 문구(R) | 36/37/38-20-18-52 |
| 위험 표시 | Xn |
| 안전 문구(S) | 23-24/25-37/39-26 |
| 기존화학 물질 | KE-09221 |
| F 고인화성물질 | 8 |
| 위험 등급 | Aquatic Chronic 2 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Bromocyclohexane has been used to study the ionization of equatorial and axial conformational isomers of the chair-bromocyclohexane using vacuum ultraviolet mass-analyzed threshold ionization spectroscopy.
일반 설명
Axial conformer of bromocyclohexane forms inclusion complexes with 9,9′-bianthryl and exhibits a weak 1,3 diaxial Cl...H interaction. It participates in the alkylation reaction of of para-xylene in the presence of graphite as catalyst to yield hydrocarbon.
제조 및 합성 방법
제조 방법
Bromocyclohexane is synthesized by the reaction of cycloethanol and hydrobromic acid.