Tetramethylene sulfoxide (HCID 1128)

概要

Tetrahydrothiophene 1-oxide is a member of tetrahydrothiophenes.

名称と識別子

優先名称: Tetramethylene sulfoxide
IUPAC: thiolane 1-oxide
現地名: テトラメチレンスルホキシド
英語名: Tetramethylene sulfoxide
分子式: C4H8OS
分子量: 104.17

名称と別名

Tetramethylene sulfoxide1600-44-8tetrahydrothiophene 1-oxideThiolane 1-oxideThiophane oxideTetrahydrothiophene oxideTHIOPHENE, TETRAHYDRO-, 1-OXIDEThiophane monoxideTetramethylene sulphoxideFL7PF5FLM2DTXSID6061814NSC-65433

名称をさらに表示

テトラメチレンスルホキシドテトラメチレンスルホキシドチオラン-1-オキシドチオラン1-オキシドテトラヒドロチオフェン1-オキシドテトラヒドロチオフェン-1-オキシドテトラヒドロチオフェン-S-オキシドthiophane1-oxidethiophanemonoxide1λ?-thiolan-1-oneThiophene sulfoxide

RefChem:897349DTXCID6035152216-493-2Thiophane 1-oxideTetrametylene sulfoxideMFCD00005477NSC 654331-thiolan-1-one

データベース識別子

CAS: 1600-44-8
PubChem CID: 1128
DTXSID: DTXSID6061814
ChEMBL: CHEMBL1207
ChEBI: CHEBI:138746
UNII: FL7PF5FLM2
EC Number: 216-493-2
Nikkaji: J40.777A

物性

構造計算による物性

XLogP: -0.3
極性表面積: 36.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 61.9

実験および物理化学的性質

Chemical ClassesOther Classes -> Sulfur Compounds

SpringerMaterials PropertiesSchoenflies notation

LogP-0.96

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

沸点: 235 · 235-237 °C(lit.)
比重(密度): 1.158 g/mL · 1.158 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.52(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Storage temp. 2-8°C
外見: 液体
色: 無色透明～黄色
水溶解度: 水に完全に混和します。
BRN: 105274 · 105274
Dielectric constant: 5.6 · 5.6(25℃)
InChI: 1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2
InChIKey: ISXOBTBCNRIIQO-UHFFFAOYSA-N
SMILES: O=S1CCCC1
CAS データベース: 1600 · 1600-44-8(CAS DataBase Reference)
EPAの化学物質情報: 1 · Thiophene, tetrahydro-, 1-oxide (1600-44-8)

化学的性質

化学的特性clear colorless to yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationThiophene, tetrahydro-, 1-oxide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 3,500 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Dimethyl sulfoxide.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: XN0830000
毒性: mouse,LD50,intraperitoneal,3500mg/kg (3500mg/kg),International Journal of Radiation Biology and Related Studies in Physics, Chemistry and Medicine. Vol. 3, Pg. 41, 1961.
hs_code: 29041000
消防法: 危-4-3-III
safety_code: 24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationThiophene, tetrahydro-, 1-oxide: ACTIVE

応用分野

使用In a comparative study of aromatic fluorodenitration with Potassium fluoride, in several dipolar aprotic solvents, a much faster reaction rate was observed with DMSO or tetramethylene sulfoxide than with the more commonly used Sulfolane.