基本情報
- CAS
1622-32-8- 標準SMILES
O=S(=O)(Cl)CCCl- InChIKey
VHCSBTPOPKFYIU-UHFFFAOYSA-N- 分子式
- C2H4Cl2O2S
- 平均分子量
- 163.02 g/mol
- 単同位体質量
- 161.93090573
概要
Ethanesulfonyl chloride, 2-chloro- appears as a liquid. Density 1.56 g / cm3. Flash point exceeds 230 °F.
名称と識別子
- 優先名称
- Ethanesulfonylchloride, 2-chloro-
- IUPAC
- 2-chloroethanesulfonyl chloride
- 現地名
- 2-クロロエタンスルホニルクロリド
- 英語名
- 2-chloroethanesulfonyl chloride
- 分子式
- C2H4Cl2O2S
- 分子量
- 163.02
名称と別名
名称をさらに表示
データベース識別子
- CAS
1622-32-8- PubChem CID
- 15385
- DTXSID
DTXSID5061825- UNII
- AET6VQ5A3Q
- EC Number
- 216-594-1
- Nikkaji
- J78.119C
物性
構造計算による物性
- XLogP
- 1
- 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
- 2
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 121
実験および物理化学的性質
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Reactive agents - 1st degree
Density
1.55 at 68 °F (EPA, 1998) - Denser than water; will sink
1.555 at 20 °C/4 °C
1.555 @ 20°C
Boiling Point
392 to 397 °F at 760 mmHg (EPA, 1998)
200-3 °C
Physical Description
Ethanesulfonyl chloride, 2-chloro- appears as a liquid. Density 1.56 g / cm3. Flash point exceeds 230 °F.
Liquid; [CAMEO] Colorless liquid; [MSDSonline]
物理化学的性質
- 融点
- 3 °C · 3 °C
- 沸点
- 84 · 84-86 °C15 mm Hg(lit.)
- 比重(密度)
- 1.56 g/mL · 1.56 g/mL at 25 °C(lit.)
- 蒸気圧
- 15 mm · 15 mm Hg ( 84 °C)
- 屈折率
- 20 · n20/D 1.493(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Refrigerator
- 外見
- 液体
- 色
- やや黄色~褐色の透明
- 水溶解度
- 水と反応する。
- BRN
- 1751202 · 1751202
- InChI
- InChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2
- InChIKey
- VHCSBTPOPKFYIU-UHFFFAOYSA-N
- SMILES
- C(S(Cl)(=O)=O)CCl
- CAS データベース
- 1622 · 1622-32-8(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2-Chloro-ethanesulfonyl chloride (1622-32-8)
化学的性質
化学的特性CLEAR SLIGHTLY YELLOW TO BROWN LIQUID
安全と法規制
GHS分類
GHS Classification
Danger
H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
危険有害性情報
Hazards Summary
Reacts with water evolving hydrogen chloride; [CAMEO] 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 abnormal liver function tests; [MSDSonline] See Ethanesulfonyl chloride.
Reactivity Profile
ETHANESULFONYL CHLORIDE, 2-CHLORO- is incompatible with strong oxidizing agents, alcohols, amines, alkali. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
Hazard Classes and Categories
Acute Tox. 3 (97.9%)
Acute toxicity (Oral) - Category 3
Reactive agents - 1st degree
安全と保護具
First Aid
Signs and Symptoms of Ethanesulfonyl Chloride, 2-Chloro- Exposure: No information is available on specific clinical effects of exposure to ethanesulfonyl chloride, 2-chloro- exposure. However, because ethanesulfonyl chloride, 2-chloro- is expected to be an irritant and general toxicant, signs and symptoms of exposure may include the following: headache, dizziness, weakness, nausea, irritation of the eyes, skin, and respiratory tract, and dermatitis. Severe respiratory tract irritation can progress to pulmonary edema, the onset of which may be delayed 24-72 hours. Irritation or burns of the esophagus or gastrointestinal tract are possible.
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Protective Action Criteria (PAC)
0.23 [mg/m3]
2.5 [mg/m3]
19 [mg/m3]
Personal Protective Equipment (PPE)
For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)
毒性情報
安全データ
- F
- 10-19
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KI8060000
- ridadr
- UN 3390 6.1/PG 1
- 毒性
- mouse,LC50,inhalation,250mg/m3/4H (250mg/m3),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(6), Pg. 59, 1971.
- hs_code
- 29049090
- risk_code
- 22-26-34-36
- 消防法
- 危-4-3-III
- hazard_code
- T+
- safety_code
- 26-28-36/37/39-45-23
- hazard_class
- 8
- packing_group
- II
- 有毒物質データの
- 1622-32-8(Hazardous Substances Data)
化学と産業
用途と製造
応用分野
使用2-Chloroethanesulfonyl chloride was used in one-pot sulfonylation/intramolecular thia-Michael protocol for the synthesis of 1,5,2-dithiazepine 1,1-dioxides. It was also used in synthesis of vinyl sulfonamides with a furan, carbocyclic, semi cyclic or acyclic 1,3-diene moiety.
一般的な説明A liquid. Density 1.56 g / cm3. Flash point exceeds 230°F.
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