Dimethyl sulfite (HCID 69223)

概要

Dimethyl sulfite is a sulfite ester.

名称と識別子

優先名称: Dimethyl sulfite
IUPAC: dimethyl sulfite
現地名: 亜硫酸ジメチル
英語名: Dimethyl sulfite
分子式: C2H6O3S
分子量: 110.13

名称と別名

Dimethyl sulfite616-42-2Methyl sulfiteSulfurous acid, dimethyl esterDimethyl sulphiteDimethylsulfiteDimethoxy sulfoxideTL 1599JFA40S66PNSC-41902DTXSID3060665CHEBI:48858

名称をさらに表示

亜硫酸ジメチル亜硫酸メチルtl159imethylsulfiteDiMethyl sulfitdimethoxysulfoxideDimethyl sulfite,99%

RefChem:134277DTXCID2043082210-481-0Dimethylsulfit(CH3O)2SOSulphurous acid dimethyl esterDimethyl ester of sulfurous acidDimethyl sulfite, 99%

データベース識別子

CAS: 616-42-2
PubChem CID: 69223
DTXSID: DTXSID3060665
ChEBI: CHEBI:48858
UNII: 9JFA40S66P
EC Number: 210-481-0
Nikkaji: J1.662D

物性

構造計算による物性

XLogP: 0.2
極性表面積: 54.7 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 46.8

実験および物理化学的性質

Chemical ClassesOther Classes -> Sulfur Compounds

SpringerMaterials PropertiesChemical shift

Physical DescriptionClear colorless liquid; [MSDSonline]

物理化学的性質

融点: 0 °C · 0°C
沸点: 126 · 126-127 °C (lit.)
比重(密度): 1.294 g/mL · 1.294 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.410(lit.)
闪点: 106 °F · 106 °F
貯蔵温度: Flammables area
外見: 液体
色: 無色透明～淡黄色
水溶解度: 溶ける
BRN: 1700256 · 1700256
Dielectric constant: 22.5 · 22.5(23℃)
InChI: InChI=1S/C2H6O3S/c1-4-6(3)5-2/h1-2H3
InChIKey: BDUPRNVPXOHWIL-UHFFFAOYSA-N
SMILES: S(OC)(OC)=O
CAS データベース: 616 · 616-42-2(CAS DataBase Reference)
NISTの化学物質情報: Sulfurous acid, dimethyl ester(616-42-2)
EPAの化学物質情報: Sulfurous acid, dimethyl ester (616-42-2)

化学的性質

化学的特性CLEAR COLORLESS TO PALE YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: Sulfurous acid, dimethyl ester

Dimethyl sulphite: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and eye irritant; [eChemPortal: ERMA] An irritant; [MSDSonline]

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

毒性情報

Toxicity DataLC (mice) > 2,600 mg/m3

安全データ

wgk: 3
tsca: TSCA listed
rtecs: WT3512000
ridadr: UN 1993 3/PG 3
hs_code: 29209085
risk_code: 10-36/37/38
消防法: 危-4-2-III
hazard_code: Xi
safety_code: 26-36-24/25-16
hazard_class: 3.2
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationSulfurous acid, dimethyl ester: ACTIVE

応用分野 · 3 件

解説(CH3O)2SO(110.13)．亜硫酸ジメチルは，メタノールにより塩化チオニルの塩素を置換させて合成する．沸点126 ℃．d2441.2073．n20D1.4093．高級アルコールと加熱すると，エステル交換反応により高沸点の亜硫酸アルキルを生成する．森北出版「化学辞典（第2版）

使用The conformations and vibrational spectra of dimethyl sulfite was studied by matrix-isolation fourier transform infrared spectroscopy and to study its conformational selective aggregation. It may be used in organic synthesis.

一般的な説明Dimethyl sulfite is an insect repellent and also experimentally identified as a mutagenic agent.

調製方法 · 1 件

製造方法Dimethyl sulfite is prepared from a 1:2 ratio of thionyl chloride and methanol. The reaction can be catalyzed by tertiary amine bases and likely proceeds via the chlorosulfinate (MeOS(O)Cl), this intermediate will exist only fleetingly in the presence of methanol and as such its decomposition to methyl chloride and sulfur dioxide (via the slower SNi mechanism) is not observed to any great extent. SOCl2 + 2 CH3OH → (CH3O)2SO + 2 HCl