CAS 31562-43-3 2-Methylpropane-2-sulfinyl chloride (HCID 4686861)

基本情報

CAS: 31562-43-3
標準SMILES: CC(C)(C)S(=O)Cl
InChIKey: ZLJKQOWJEZSNBE-UHFFFAOYSA-N
分子式: C4H9ClOS
平均分子量: 140.63 g/mol
単同位体質量: 140.00626359

名称と識別子

優先名称: 2-Methylpropane-2-sulfinyl chloride
IUPAC: 2-methylpropane-2-sulfinyl chloride
現地名: 2-メチル-2-プロパンスルフィニルクロリド
英語名: tert-Butylsulfinyl chloride
分子式: C4H9ClOS
分子量: 140.63

名称と別名

2-methylpropane-2-sulfinyl ChlorideRefChem:476185628-238-6tert-Butylsulfinyl chloride31562-43-32-METHYLPROPANE-2-SULFINIC CHLORIDEt-butylsulfinyl chloride2-methyl-2-propanesulfinyl chlorideMFCD049740741,1-dimethylethanesulfinyl chloride2-methylpropane-2-sulfinic acid chloridetert-Butylthionyl chloride

名称をさらに表示

2-メチル-2-プロパンスルフィニルクロリドTERT-ブチルスルフィニルクロリドT-BUTYLSULFINYL CHLORIDE, 97%TERT-BUTYLSULFINYL CHLORIDE 97tert-Butylsulfinyl chloride 97%2-Propanesulfinyl chloride, 2-methyl-tert-Butylsulfinyl chloride ISO 9001：2015 REACH

SCHEMBL248927TERT-BUTYLSULFINYLCHLORIDEDTXSID40405575tert-Butylsulfinyl chloride, 97%2-methyl-propane-2-sulfinyl chlorideAKOS0089011162-METHYLPROPANE-2-SULFINICCHLORIDEAS-35634

データベース識別子

CAS: 31562-43-3
PubChem CID: 4686861
DTXSID: DTXSID40405575
EC Number: 628-238-6
Nikkaji: J918.770G

物性

構造計算による物性

XLogP: 1.3
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: 1
重原子数: 7
形式電荷: 0
複雑度: 84.2

物理化学的性質

沸点: 53 · 53-54 °C/19 mmHg (lit.)
比重(密度): 1.135 g/mL · 1.135 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.4830(lit.)
闪点: 125 °F · 125 °F
貯蔵温度: 2 · Storage temp. 2-8°C
InChI: 1S/C4H9ClOS/c1-4(2,3)7(5)6/h1-3H3
InChIKey: ZLJKQOWJEZSNBE-UHFFFAOYSA-N
SMILES: CC(C)(C)S(Cl)=O

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 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

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

安全データ

wgk: 3
ridadr: UN 2920 8/PG 2
risk_code: 10-34
hazard_code: C
safety_code: 16-26-36/37/39-45
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

使用tert-butylsulfinyl chloride can react with primary and secondary amines to form tert-butylsulfinamides, which on oxidation forms base stable tert-butylsulfonamide. It can also react with 1-thiosugars to form the corresponding carbohydrate thionolactones.

一般的な説明tert-Butylsulfinyl chloride can be synthesized by using tert-butylmagnesium chloride as the starting material via a multi-step synthesis process.