바이닐렌 카보네이트
바이닐렌카보네이트 · 1,3-다이옥솔-2-온 · 바이닐렌 카보네이트 · 카본산, 고리형 바이닐렌 에스터 · VC · 1,3-DIOXOL-2-ONE · vinyl carbonate · Vinylene carbote
식별자 및 물리적 특성
| CAS No. | 872-36-6 |
|---|---|
| 분자식 | C3H2O3 |
| 평균 분자량 | 86.05 g/mol |
| 단동위원소 질량 | 86.00039392 g/mol |
| SMILES | O=c1occo1 |
| InChIKey | VAYTZRYEBVHVLE-UHFFFAOYSA-N |
| PubChem CID | 13385 |
| EC No. | 212-825-5 |
| DTXSID | DTXSID1074888 |
| 현지명 | 바이닐렌 카보네이트 |
화학 및 물리적 성질
| XLogP | 0.3 |
|---|---|
| 극성 표면적 | 35.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 84.2 |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | LiquidDry Powder |
| 녹는점 | 19-22 °C(lit.) |
| 끓는 점 | 162 °C(lit.) |
| 밀도 | 1.360 g/mL at 20 °C |
| 증기압 | 3.35hPa at 25℃ |
| 굴절률 | n20/D 1.421(lit.) |
| 인화점 | 163 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 11.5g/100mL |
| 물리적 상태 | 액체 |
| 비중 | 1.355 |
| 색상 | 무색~담황색 |
| 용해도 | 11.5g/100mL |
| BRN | 105683 |
| InChI | 1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H |
| InChIKey | VAYTZRYEBVHVLE-UHFFFAOYSA-N |
| SMILES | O=C1OC=CO1 |
| LogP(분배 계수) | -0.36 at 20℃ |
| NIST | 1,3-Dioxol-2-one(872-36-6) |
| EPA | 1,3-Dioxol-2-one (872-36-6) |
화학적 성질
clear colorless to light yellow liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.4% (1 of 263) of reports.DangerH302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 263 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | 1,3-Dioxol-2-one is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Dioxol-2-one 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 19-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10740 |
| Peroxide Forming Chemical | Vinylene carbonateD: Other compounds that may form peroxidesKellyAn account of a container bursting in storage. Could be due to carbon dioxide evolution, but other factors cannot be ruled out. See Bretherick's. |
| Hazard Classes and Categories | Acute Tox. 4 (99.2%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | FG3325000 |
| 운송 번호(UN) | UN2810 - class 6.1 - PG 3 - EHS - Toxic, liquids, organic, n.o.s., HI: all |
| 관세 코드 | 29209090 |
| 위험 문구(R) | 43-36-51/53-48/22-41-38-24-22 |
| 위험 표시 | Xi,N,T |
| 안전 문구(S) | 37/39-26-24-61-45-36/37/39 |
| 위험 등급 |
용도
용도
Vinylene carbonate is used as an additive to electrolyte solutions for anode side Lithiumion batteries. It also acts as a sealant to seal at least a portion of the silicon-polyvinyl acid interface. It is further used for great improvement of high temperature performance of the battery.
일반 설명
This product has been enhanced for energy efficiency. Carbonate building block offered as a solution in ethyl acetate for more convenient handling. Vinylene carbonate may also be used as a dienophile in Diels-Alder reactions.
제조 및 합성 방법
제조 방법
Vinylene carbonate is produced by the known method by eliminating hydrogen chloride from chloroethylene glycol carbonate by means of tertiary amines, in particular triethylamine. Chloroethylene glycol carbonate is obtained by free radical chlorination of ethylene glycol carbonate by means of chlorine or sulphuryl chloride. This synthesis was published for the first time in 1953 by Newman and Addor (JACS, 1953, page 1263; JACS 1955, page 3789).