基本情報
- 標準SMILES
CCS(=O)(=O)Cl- InChIKey
FRYHCSODNHYDPU-UHFFFAOYSA-N- 分子式
- C2H5ClO2S
- 平均分子量
- 128.58 g/mol
- 単同位体質量
- 127.96987808
名称と識別子
- 優先名称
- Ethanesulfonyl chloride
- IUPAC
- ethanesulfonyl chloride
- 現地名
- エタンスルホニルクロリド
- 英語名
- Ethanesulfonyl chloride
- 分子式
- C2H5ClO2S
- 分子量
- 128.58
名称と別名
名称をさらに表示
データベース識別子
- CAS
594-44-5- PubChem CID
- 11667
- DTXSID
DTXSID0060486- UNII
- B56ZOC898A
- EC Number
- 209-842-5
- Nikkaji
- J53.955D
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 42.5 Ų
- 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
- 6
- 形式電荷
- 0
- 複雑度
- 108
実験および物理化学的性質
Color/Form
Oil
Pale yellow
Solubility
Soluble in carbon disulfide
Slightly soluble (decomposes) in water and alcohol; very soluble in ether and dichloromethane.
物理化学的性質
- 融点
- -70 °C · -70°C
- 沸点
- 177 °C · 177 °C (lit.)
- 比重(密度)
- 1.357 g/mL · 1.357 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.452(lit.)
- 闪点
- 182 °F · 182 °F
- 貯蔵温度
- 2 · Inert atmosphere,2-8°C
- 溶解性
- soluble in dichloromethane,Ether
- 外見
- 液体
- 色
- 無色透明~薄黄色または薄茶~桃紫
- 水溶解度
- 分解する
- BRN
- 773865 · 773865
- InChI
- 1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3
- InChIKey
- FRYHCSODNHYDPU-UHFFFAOYSA-N
- SMILES
- CCS(Cl)(=O)=O
- CAS データベース
- 594 · 594-44-5(CAS DataBase Reference)
- NISTの化学物質情報
- Ethanesulfonyl chloride(594-44-5)
- EPAの化学物質情報
- Ethanesulfonyl chloride (594-44-5)
化学的性質
化学的特性clear light brownish to pinkish-purple liquid
安全と法規制
GHS分類
GHS Classification
Danger
H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Status: Active Update: 06-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11864
Ethanesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A lachrymator; All rats exposed to 1273 ppm died within 30 to 130 minutes; 4-hr LC50 (rat) = approximately 86 ppm; Rats exposed to lethal concentrations have lacrimation, salivation, gasping, and pulmonary hemorrhage; [HSDB] Reacts violently with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; Effects in high-dose animal studies include acute pulmonary edema; [MSDSonline]
安全と保護具
Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Preventive Measures
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
毒性情報
Non-Human Toxicity Excerpts
/LABORATORY ANIMALS: Acute Exposure/ A single dermal application of 2000 mg/kg to rabbits killed two of three animals. No deaths occurred following a dermal application of 200 mg/kg to rabbits.
/LABORATORY ANIMALS: Acute Exposure/ Acute (4-hr) inhalation studies indicated an LC50 of approximately 86 ppm in the rat. Clinical signs included eye irritation, lacrimation, salivation, and gasping. Decedents exhibited pulmonary hemorrhage. All rats died within 30 to 130 min during an exposure to 1273 ppm.
/LABORATORY ANIMALS: Acute Exposure/ Ethanesulfonyl chloride is corrosive to rabbit skin and eyes, and the vapor caused irritation of the eyes and respiratory tract. In rabbits, irritation of the eye 20 to 30 sec after instillation did not reduce the conjunctival necrosis, corneal opacity, or iridial changes. Corneal opacity persisted through 7 days.
Non-Human Toxicity Values
LD50 rat oral 360 mg/kg
LC50 rat inhalation 86 ppm/4 hr
安全データ
- F
- 19-21
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KI8050000
- ridadr
- UN 2927 6.1/PG 2
- hs_code
- 29049090
- risk_code
- 21/22-23-34-22
- 化審法
- (2)-3915
- 安衛法
- 変異原性物質
- 消防法
- 危-4-3-III
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- packing_group
- II
- Hazard Classifications
- Acute Tox. 2 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1BSTOT SE 3
- ストレージクラス
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- 有毒物質データの
- 594-44-5(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used to make sulfonyl-substituted imides, methide lithium salts, and pentafluoroethanesulfonyl fluoride, a fluorinated surfactant; [HSDB]
Intermediate in the syntheses of new, low-cost, non-fluorinated, sulfonyl-substituted imide and methide lithium salts.
Intermediate in the preparation of the fluorinated surfactant pentafluoroethanesulfonyl fluoride.
Methods of Manufacturing
Alkanesulfonyl chlorides are manufactured from mercaptans or disulfides and chlorine using a loop reactor having an ejector, wherein mercaptan or disulfide is dispersed or dissolved into circulating aqueous solvent before the ejector and alowed to react with chlorine supplied through the aspirator of the ejector.
Mercaptans or disulfide in aqueous solvents are reacted with chlorine gas in dark to produce alkanesulfonyl chloride without chloro chain byproducts. Thus, ... ethyl mercaptan was reacted with ... chlorine gas over 4 hours in /the/ dark in ... pure water keeping the reaction temperature under 20 °C to give ethanesulfonyl chloride.
応用分野
用途有機合成原料。
上流・下流製品情報
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下流製品
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