1-브로모헥사데칸
1-브로모헥사데칸 · 브로민화세틸(브롬화세틸) · 세틸브롬화물 · 1-브로모헥사데케인 · CETYL BROMIDE · 1-Bromhexadecan · HEXADECYL BROMIDE · 1-HEXADECYL BROMIDE
식별자 및 물리적 특성
| CAS No. | 112-82-3 |
|---|---|
| 분자식 | C16H33Br |
| 평균 분자량 | 305.34 g/mol |
| 단동위원소 질량 | 304.17656316 g/mol |
| SMILES | CCCCCCCCCCCCCCCCBr |
| InChIKey | HNTGIJLWHDPAFN-UHFFFAOYSA-N |
| PubChem CID | 8213 |
| ChEMBL | CHEMBL3188886 |
| EC No. | 204-008-7 |
| DTXSID | DTXSID2049397 |
| 현지명 | 1-브로모헥사데칸 |
화학 및 물리적 성질
| XLogP | 9.2 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 14 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 123 |
| 물질 분류 | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Boiling point |
| Physical Description | LiquidMelting point = 18 deg C[ChemIDplus] Colorless liquidmp = 16-18 deg C[Alfa Aesar MSDS] |
| 녹는점 | 16-18 °C(lit.) |
| 끓는 점 | 190 °C11 mm Hg(lit.) |
| 밀도 | 0.999 g/mL at 25 °C(lit.) |
| 증기 밀도 | 10.6 (vs air) |
| 증기압 | <1 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.4609(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 혼합하기가 어렵습니다. |
| 물리적 상태 | 녹은 후에 액체 |
| 비중 | 1.000 (20/4℃) |
| 색상 | 투명한 호박색에서 갈색-검정색까지 |
| 용해도 | 불용성 |
| BRN | 773989 |
| 유전율 | 3.71 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. 타기 쉬운. |
| InChI | 1S/C16H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3 |
| InChIKey | HNTGIJLWHDPAFN-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCBr |
| LogP(분배 계수) | 8.54 |
| NIST | Hexadecane, 1-bromo-(112-82-3) |
| EPA | Hexadecane, 1-bromo- (112-82-3) |
화학적 성질
colourless to yellow liquid or solid.soluble in ether, alcohol, insoluble in water.
안전 및 규제
| GHS 분류 | WarningH315 (100%): 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 77 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Hexadecane, 1-bromo-Hexadecane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecane, 1-bromo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 10-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10277Hexadecane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | An irritant[Alfa Aesar MSDS] See Hexadecane. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29033036 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 기존화학 물질 | KE-03673 |
| 위험 등급 | Skin Irrit. 2 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
1-Bromohexadecane has been used:in the preparation of soluble carbon nano-onions by covalent functionalization with hexadecyl chainsas extraction solvent in determination of endocrine-disrupting phenols (EDPs) in water samples by ultrasound-assisted emulsification microextraction (MS-USAEME) methodin the preparation of [2-(methacryloyloxy)ethyl]dimethylhexadecylammonium bromide monomer, required for the synthesis of novel methacrylate based adsorbentsin the synthesis of surfactant, N-hexadecyl ethylenediamine triacetic acid (HED3A)
용도
1-Bromohexadecane is used in the preparation of soluble carbon nano-onions by covalent functionalization with hexadecyl chains. It is also used to synthesize [2-(methacryloyloxy)ethyl]dimethylhexadecylammonium bromide monomer, required for the synthesis of novel methacrylate based adsorbents.
제조 및 합성 방법
제조 방법
Synthesis of 1-Bromohexadecane from hexadecanol by bromination: put hexadecanol into the reaction pot and stir, heat, melt and put in red phosphorus. Add bromine drop by drop at 100℃ with sufficient stirring on one side, control 120-130℃, about 6h drop by drop, continue the reaction and drain the hydrogen bromide. Cool to below 50 ℃, add saturated and sodium chloride, stirring and washing, resting stratification, parting off the lower waste stream, then wash with water to neutral, distillation, collect 220-230 ℃ (2kPa) fraction, to obtain 1-bromohexadecane.