기본 정보
- 표준 SMILES
O=S(=O)(Cl)CCCl- InChIKey
VHCSBTPOPKFYIU-UHFFFAOYSA-N- 분자식
- C2H4Cl2O2S
- 평균 분자량
- 163.02 g/mol
- 단동위원소 질량
- 161.93090573
개요
Ethanesulfonyl chloride, 2-chloro- appears as a liquid. Density 1.56 g / cm3. Flash point exceeds 230 °F.
이름 및 식별자
- 우선 이름
- Ethanesulfonylchloride, 2-chloro-
- IUPAC
- 2-chloroethanesulfonyl chloride
- 현지명
- 염화 2-클로로에탄술포닐
- 영어명
- 2-chloroethanesulfonyl chloride
- 분자식
- C2H4Cl2O2S
- 분자량
- 163.02
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1622-32-8- PubChem CID
- 15385
- DTXSID
DTXSID5061825- UNII
- AET6VQ5A3Q
- EC Number
- 216-594-1
- Nikkaji
- J78.119C
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 42.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 121
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- 3 °C · 3 °C
- 끓는 점
- 84 · 84-86 °C15 mm Hg(lit.)
- 밀도
- 1.56 g/mL · 1.56 g/mL at 25 °C(lit.)
- 증기압
- 15 mm · 15 mm Hg ( 84 °C)
- 굴절률
- 20 · n20/D 1.493(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Refrigerator
- 물리적 상태
- 액체
- 색상
- 약간 노란색에서 갈색으로 투명함
- 수용성
- 물과 반응합니다.
- 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
- EPA
- 2 · 2-Chloro-ethanesulfonyl chloride (1622-32-8)
화학적 성질
CLEAR SLIGHTLY YELLOW TO BROWN LIQUID
안전 및 규제
GHS 분류
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]
유해성 정보
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
안전 및 보호
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)
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KI8060000
- ridadr
- UN 3390 6.1/PG 1
- 독성
- 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 번호
- 29049090
- risk_code
- 22-26-34-36
- hazard_code
- T+
- safety_code
- 26-28-36/37/39-45-23
- 포장분류
- II
- 위험 등급
- 8
- F 고인화성물질
- 10-19
- 유해 물질 데이터
- 1622-32-8(Hazardous Substances Data)
화학 및 산업
용도 및 제조
응용 분야
용도2-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.
일반 설명A liquid. Density 1.56 g / cm3. Flash point exceeds 230°F.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…