브롬화라우릴
1-브로모도데케인 · 브롬화라우릴 · 1-브로모도데칸 · DODECYL BROMIDE · Bromododecane · 1-Dodecylbromide · LAURYL BROMIDE · BROMODODECAN
식별자 및 물리적 특성
| CAS No. | 143-15-7 |
|---|---|
| 분자식 | C12H25Br |
| 평균 분자량 | 249.23 g/mol |
| 단동위원소 질량 | 248.1139629 g/mol |
| SMILES | CCCCCCCCCCCCBr |
| InChIKey | PBLNBZIONSLZBU-UHFFFAOYSA-N |
| PubChem CID | 8919 |
| ChEMBL | CHEMBL3184907 |
| EC No. | 205-587-9 |
| DTXSID | DTXSID2044395 |
| 현지명 | 브롬화라우릴 |
화학 및 물리적 성질
| XLogP | 7.1 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 10 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 81.2 |
| 물질 분류 | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Boiling point |
| 밀도 | 1.038 @25 °C1.040 g/mL at 20 °C |
| Physical Description | Liquid[Merck Index] Colorless liquid with a weak odor[Alfa Aesar MSDS] |
| 녹는점 | −11-−9 °C(lit.) |
| 끓는 점 | 134-135 °C6 mm Hg(lit.) |
| 증기 밀도 | 8.6 (vs air) |
| 굴절률 | n20/D 1.458(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,2-8°C |
| 용해도 | 알코올: 용해 가능 |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| 용해도 | 불용성 |
| Merck | 14,5389 |
| BRN | 506159 |
| 유전율 | 4.0700000000000003 |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제, 강한 염기와 호환되지 않습니다. |
| InChI | 1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3 |
| InChIKey | PBLNBZIONSLZBU-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCBr |
| NIST | Dodecane, 1-bromo-(143-15-7) |
| EPA | Dodecane, 1-bromo- (143-15-7) |
화학적 성질
Colorless to light yellow liquid. Insoluble in water, soluble in ethanol, ether and other organic solvents.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 22.9% (58 of 253) of reports.DangerH304 (41.1%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 253 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Dodecane, 1-bromo-Dodecane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecane, 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: 29-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10302Dodecane, 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 1-Bromopropane and 2-Bromopentane. |
| Hazard Classes and Categories | Asp. Tox. 1 (41.1%) |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| 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) | 26-36-24/25 |
| F 고인화성물질 | 19 |
| 위험 등급 | Skin Irrit. 2 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
1-Bromododecane is used as a solvent. It is used as an intermediate to manufacture surfactant, pharmaceuticals and other organic compounds.
용도
1-Bromododecane have assumed considerable importance as starting materials for the production of many types of organic derivatives. The major use for 1-Bromododecane with 12 – 16 carbon atomsisinthe production of alkyldimethylamines by the nucleophilic displacement of bromide ion with dimethylamine. These amines are used as intermediates in the manufacture of fatty amine oxides and alkyl dimethyl benzyl quaternary ammonium salts, which are used in a wide range of products because of their biological (germicidal) or physical (cationic) properties. Minor amounts of 1-Bromododecane are used to produce insect pheromones, phasetransfer catalysts, and other useful specialty chemicals.
일반 설명
1-Bromododecane is antimicrobial agent.
제조 및 합성 방법
제조 방법
1-Bromododecane is synthesized by the action of 1-dodecanol and hydrobromic acid. The 1-dodecanol is added to the enameled glass reaction pot, stirred and cooled, and sulfuric acid is slowly added. Stir for 1h, then add hydrobromic acid. The temperature is gradually increased to 90-95℃, and the reaction is stirred for 8h. After the reaction, the temperature is lowered to 30℃ and left for 8h. The acid layer is separated, and the oil layer is adjusted to pH 8 with dilute alkali solution, and the alkali solution is separated and washed with 50% ethanol. Distill under reduced pressure and collect 140-200℃ (3.33kPa) fractions to obtain refined 1-bromododecane.