Vinylene carbonate (HCID 13385)

名称と識別子

優先名称: Vinylene carbonate
IUPAC: 1,3-dioxol-2-one
現地名: 炭酸ビニレン
英語名: Vinylene carbonate
分子式: C3H2O3
分子量: 86.05

名称と別名

VINYLENE CARBONATE1,3-Dioxol-2-one872-36-61X0ZZF9WFVNSC-20980NSC-47201DTXSID1074888LBG-84922RefChem:901949DTXCID8048573212-825-5Vinyl carbonate

名称をさらに表示

炭酸ビニレンビニレンカボネトビニレンカ-ボネ-トビニレンカーボネート1,3-ジオキソール-2-オンビニレンカルボナート炭酸環状ビニルエステル2H-1,3-ジオキソール-2-オンVCVinylene carboteThe ethylene carbonateVINYLENE CARBONATE (VC)1-methyl-2,3-dihydro-1H-phosphole 1-oxideVinylene carbonate, 99%, water ≤50 ppm, stabilized with 90 ppm BHT1,3-Dioxo-2-oneWITH HYDROQUINONE

2H-1,3-dioxol-2-oneCarbonic acid, cyclic vinylene esterMFCD00005380C3H2O3Vinylene carbonate (stabilized with BHT)WLN: T5OVOJ1,3-Dioxol-2-one,VC25747-73-3

データベース識別子

CAS: 872-36-6
PubChem CID: 13385
DTXSID: DTXSID1074888
UNII: 1X0ZZF9WFV
EC Number: 212-825-5
Nikkaji: J55.532K

物性

構造計算による物性

XLogP: 0.3
極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 84.2

実験および物理化学的性質

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionLiquid; Dry Powder

物理化学的性質

融点: 19 · 19-22 °C(lit.)
沸点: 162 °C · 162 °C(lit.)
比重(密度): 1.36 g/mL · 1.360 g/mL at 20 °C
蒸気圧: 3.35 hPa · 3.35hPa at 25℃
屈折率: 20 · n20/D 1.421(lit.)
闪点: 163 °F · 163 °F
貯蔵温度: 2 · 2-8°C
溶解性: 11.5 g/100mL · 11.5g/100mL
外見: 液体
比重: 1.355 · 1.355
色: 無色～淡黄色
水溶解度: 11.5 g/100mL · 11.5g/100mL
BRN: 105683 · 105683
InChI: 1S/C3H2O3/c4-3-5-1-2-6-3/h1-2H
InChIKey: VAYTZRYEBVHVLE-UHFFFAOYSA-N
SMILES: O=C1OC=CO1
LogP: -0.36 at · -0.36 at 20℃
CAS データベース: 872 · 872-36-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1,3-Dioxol-2-one(872-36-6)
EPAの化学物質情報: 1 · 1,3-Dioxol-2-one (872-36-6)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.4% (1 of 263) of reports.

Danger

H302 (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.

危険有害性情報

Regulatory Information · 3 件

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 · 4 件

Vinylene carbonate

D: Other compounds that may form peroxides

Kelly

An 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 CategoriesAcute Tox. 4 (99.2%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: FG3325000
ridadr: UN2810 - class 6.1 - PG 3 - EHS - Toxic, liquids, organic, n.o.s., HI: all
hs_code: 29209090
risk_code: 43-36-51/53-48/22-41-38-24-22
化審法: (5)-6636, (5)-6744
hazard_code: Xi,N,T
safety_code: 37/39-26-24-61-45-36/37/39
hazard_class: 6.1
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT RE 2 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesSolvent

Industry UsesSolvent

General Manufacturing Information · 2 件

Transportation Equipment Manufacturing

1,3-Dioxol-2-one: ACTIVE

応用分野 · 2 件

使用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.

一般的な説明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.

調製方法 · 2 件

製造方法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).

純化方法Purify it by zone melting, or distillation, and stabilize it with 0.5% of 2,6-di-tert-butyl-p-cresol. [Beilstein 19 III/IV 1597, 19/4 V 72.]