1-브로모옥타데칸
1-브로모옥타데칸 · STEARYL BROMIDE · OCTADECYL BROMIDE · N-OCTADECYL BROMIDE · BroMo octadecane · OCLadecyl BroMide · 1-BROMOOCTADECANE · 1-bromo-octadecan
식별자 및 물리적 특성
| CAS No. | 112-89-0 |
|---|---|
| 분자식 | C18H37Br |
| 평균 분자량 | 333.4 g/mol |
| 단동위원소 질량 | 332.20786328 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCBr |
| InChIKey | WSULSMOGMLRGKU-UHFFFAOYSA-N |
| PubChem CID | 8218 |
| EC No. | 204-013-4 |
| DTXSID | DTXSID8059423 |
| 현지명 | 1-브로모옥타데칸 |
화학 및 물리적 성질
| XLogP | 10.3 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 16 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 145 |
| 물질 분류 | Other Classes -> Halogenated Aliphatics, Saturated |
| 증기압 | 0.00000594 [mmHg] |
| Physical Description | White odorless solidmp = 25-30 deg C[Alfa Aesar MSDS] |
| 녹는점 | 25-30 °C(lit.) |
| 끓는 점 | 214-216 °C12 mm Hg(lit.) |
| 밀도 | 0.976 g/mL at 25 °C(lit.) |
| 굴절률 | 1.462-1.464 |
| 인화점 | >230 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | 저융점 고체 |
| 비중 | 0.980 (20/4℃) |
| 색상 | 노란색 |
| 용해도 | 불용성 |
| BRN | 774145 |
| 유전율 | 3.5(30.0℃) |
| InChI | 1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3 |
| InChIKey | WSULSMOGMLRGKU-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCCCBr |
| NIST | Octadecane, 1-bromo-(112-89-0) |
| EPA | Octadecane, 1-bromo- (112-89-0) |
화학적 성질
It is a colorless or light yellow liquid, soluble in ethanol, ether, ethyl acetate, and petroleum ether, but insoluble in water. It decomposes when exposed to light and is used in organic synthesis.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.8% (1 of 127) of reports.WarningH315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 127 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 11-09-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20869Octadecane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | May cause irritation[Alfa Aesar MSDS] See Lauryl bromide. |
| Hazard Classes and Categories | Skin Irrit. 2 (98.4%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29033036 |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 22-24/25 |
| 기존화학 물질 | KE-03694 |
| 위험 등급 | Asp. Tox. 1 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
1-Bromooctadecane was used in the synthesis of shortened single-walled carbon nanotubes (s-SWCNTs). It is utilized to prepare octadecane in the presence of sodium borohydride as a catalyst. It is involved as a raw material for the preparation of dimethyldistearylammonium bromide, which is a bentonite modifier.
제조 및 합성 방법
제조 방법
1-Bromooctadecane is synthesized by the reaction of stearyl alcohol with hydrogen bromide. The alcohol is heated to 100°C, dry hydrogen bromide is introduced, and the reaction temperature is maintained at 100-120°C until the solution no longer absorbs hydrogen bromide. The bromide is layered, the organic phase is washed with concentrated sulfuric acid, the bromide after the acid solution is separated and mixed with an equal volume of 90% methanol, washed with ammonia to make the bromide alkaline, then washed with 90% methanol, and anhydrous Dry calcium chloride. Finally, vacuum distillation, collecting 209-211 ℃ (1.33kPa) fraction is 1-bromooctadecane, and the yield is 90%.