2,2-디브로모프로판
2,2-디브로모프로판 · Bromoacetole · acetone dibromide · 2,2-dibromo-propan · 2,2-DIBROMOPROPANE · Propane, 2,2-dibromo- · 2,2-Dibromopropane >2,2-Dibromopropane,98% · Isopropylidene dibromide
식별자 및 물리적 특성
| CAS No. | 594-16-1 |
|---|---|
| 분자식 | C3H6Br2 |
| 평균 분자량 | 201.89 g/mol |
| 단동위원소 질량 | 199.88362439 g/mol |
| SMILES | CC(C)(Br)Br |
| InChIKey | ARITXYXYCOZKMU-UHFFFAOYSA-N |
| PubChem CID | 11658 |
| EC No. | 209-828-9 |
| DTXSID | DTXSID0060482 |
| 현지명 | 2,2-디브로모프로판 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 27.9 |
| SpringerMaterials Properties | Boiling point |
| 녹는점 | -44.69°C (estimate) |
| 끓는 점 | 114 °C (740 mmHg) |
| 밀도 | 1.78 |
| 굴절률 | 1.495-1.499 |
| 인화점 | 113 °C |
| 물리적 상태 | 액체 |
| 색상 | 무색~담황색 |
| InChI | InChI=1S/C3H6Br2/c1-3(2,4)5/h1-2H3 |
| InChIKey | ARITXYXYCOZKMU-UHFFFAOYSA-N |
| SMILES | CC(Br)(Br)C |
| EPA | Propane, 2,2-dibromo- (594-16-1) |
화학적 성질
clear colorless to light yellow liquid
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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 23-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33384 |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | 2810 |
| 관세 코드 | 29033990 |
| 위험 문구(R) | 36/37/38-20/21/22 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 36/37/39-26-37/39-24/25 |
| 포장분류 | III |
| 위험 등급 | 6.1(b) |
용도
용도
2,2-dibromopropane is used in organic synthesis. dimethyl isopropenylsuccinate was formed as a by-product in the reaction of 2,2-dibromopropane.
제조 및 합성 방법
제조 방법
2,2-Dibromopropane synthesis: Ethyl bicyclic phosphite (3.5g, 0.025mole) and acetone (1.5g, 1. 9ml, 0.025mole) were dissolved in thirty ml benzene in a one-neck 100ml 19/22 standard taper flask and the solution was cooled to 5° by an ice bath. The solution was stirred by a magnetic stirrer and bar, and to it was added bromine (4g, 0.025mole) dropwise from a dropping funnel. The reaction proceeded immediately as no dibromide intermediate appeared, and after completion of halogen addition the solution was stirred for half an hour in the cold, and then analyzed for dihaloalkane . Analysis on the Beckman GC-2A Gas Chr omatograph indicated the presence of 2,2-Dibromopropane, and the yield was calculated as previously described. Yield: 1.56g, 31%.2,2-dibromopropane is also prepared by Hydrogen bromide and propyne.