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(2-Chlorethyl)sulfonylchlorid

Ethanesulfonylchloride, 2-chloro-

HCID 15385
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Grundinformationen

CAS
1622-32-8
Standard-SMILES
O=S(=O)(Cl)CCCl
InChIKey
VHCSBTPOPKFYIU-UHFFFAOYSA-N
Summenformel
C2H4Cl2O2S
Durchschnittliche Molmasse
163,02 g/mol
Monoisotopische Masse
161,93090573

Überblick

Ethanesulfonyl chloride, 2-chloro- appears as a liquid. Density 1.56 g / cm3. Flash point exceeds 230 °F.

Namen und Bezeichner

Bevorzugter Name
Ethanesulfonylchloride, 2-chloro-
IUPAC
2-chloroethanesulfonyl chloride
Lokaler Name
(2-Chlorethyl)sulfonylchlorid
Englischer Name
2-chloroethanesulfonyl chloride
Summenformel
C2H4Cl2O2S
Molmasse
163.02

Namen und Synonyme

2-Chloroethanesulfonyl chloride1622-32-8Ethanesulfonyl chloride, 2-chloro-(2-Chloroethyl)sulphonyl chloride2-Chloroethylsulfonyl chloride2-Chloroethane sulfochloridebeta-Chloroethanesulfonyl chloride2-chloro-1-ethanesulfonyl chlorideHSDB 6420ETHANESULFONYLCHLORIDE, 2-CHLORO-AET6VQ5A3Qchloroethanesulfonyl chloride
Weitere Namen anzeigen
oroethanesuL2-chloroethanesulfochloride2-chloroethylsulfonylchloride2-chloro-ethanesulfonylchlorid2-chloroethanesulfochloride[qr]2-CHLOROETHANESULPHONYL CHLORIDEbeta-chloroethanesulfonylchloride2-chloroethylsulfonylchloride[qr]
EINECS 216-594-1BRN 1751202DTXSID50618254-04-00-00036 (Beilstein Handbook Reference)2-chloroethanesulfonic acid chlorideRefChem:5918272Chloroethane sulfochloride2Chloroethylsulfonyl chloride

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
1
Polarare Oberfläche (TPSA)
42,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
7
Formalladung
0
Komplexität
121

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Toxic Gases & Vapors -> Acid Halides

Reactive agents - 1st degree

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density · 3 Einträge

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 · 2 Einträge

392 to 397 °F at 760 mmHg (EPA, 1998)

200-3 °C

Physical Description · 2 Einträge

Ethanesulfonyl chloride, 2-chloro- appears as a liquid. Density 1.56 g / cm3. Flash point exceeds 230 °F.

Liquid; [CAMEO] Colorless liquid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt
3 °C · 3 °C
Siedepunkt
84 · 84-86 °C15 mm Hg(lit.)
Dichte
1.56 g/mL · 1.56 g/mL at 25 °C(lit.)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

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]

Gefahrenhinweise

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelPoison Inhalation Hazard Dangerous When Wet
Fire HazardsExcerpt from ERG Guide 139 [Substances - Water-Reactive (Emitting Flammable and Toxic Gases)]:
Health HazardsExcerpt from ERG Guide 139 [Substances - Water-Reactive (Emitting Flammable and Toxic Gases)]:
Hazards Summary · 1 Eintrag

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.

Reactive GroupHalogenated Organic Compounds

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthanesulfonyl chloride, 2-chloro-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden2-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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Phosphorothioic acid, S-(2-chloroethyl) O,O-diethyl esterNatrium-2-hydroxyethansulfonat2-Hydroxyethansulfonsure2-ChlorethylammoniumchloridThiodiglykol2-Mercaptoethanol

Nachgelagerte Produkte

NatriumethylensulfonatN-(3-methoxyphenyl)-2-morpholin-4-yl-2-oxo-acetamideEthenesulfonic acid, 1-methylethyl esterEthenesulfonaMide, N,N-bis(phenylMethyl)

Zugehörige Reaktionen

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Reaktionsgleichung von HRID 128594
HRID 128594als Eduktuspto-grants-1995_11
Reaktionsgleichung von HRID 139828
HRID 139828als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 157928
HRID 157928als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
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Datenbank-Bezeichner

CAS
1622-32-8
PubChem CID
15385
DTXSID
DTXSID5061825
UNII
AET6VQ5A3Q
EC Number
216-594-1
Nikkaji
J78.119C
Dampfdruck
15 mm · 15 mm Hg ( 84 °C)
Brechungsindex
20 · n20/D 1.493(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
Refrigerator
Aggregatzustand
Liquid
Farbe
Clear slightly yellow to brown
Wasserlöslichkeit
Reacts with water.
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 Datenbank
1622 · 1622-32-8(CAS DataBase Reference)
EPA chemische Informationen
2 · 2-Chloro-ethanesulfonyl chloride (1622-32-8)
Special Reports
USEPA; Chemical Profile: Ethanesulfonyl chloride, 2-chloro- (1985). Chemical safety information sheet.
Reactivity AlertsWater-Reactive
Reactivity Profile · 1 Eintrag

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].

Air and Water ReactionsReacts with water to produce corrosive and toxic gaseous hydrogen chloride.
Hazard Classes and Categories · 3 Einträge

Acute Tox. 3 (97.9%)

Acute toxicity (Oral) - Category 3

Reactive agents - 1st degree

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 139 [Substances - Water-Reactive (Emitting Flammable and Toxic Gases)]:
First Aid · 1 Eintrag

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.

Nonfire Spill ResponseExcerpt from ERG Guide 139 [Substances - Water-Reactive (Emitting Flammable and Toxic Gases)]:
Disposal Methods · 1 Eintrag

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.

Isolation and EvacuationExcerpt from ERG Guide 139 [Substances - Water-Reactive (Emitting Flammable and Toxic Gases)]:
Protective Action Criteria (PAC) · 3 Einträge

0.23 [mg/m3]

2.5 [mg/m3]

19 [mg/m3]

Personal Protective Equipment (PPE) · 1 Eintrag

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)

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Toxicity DataLC50 (rat) = 420 mg/m3/4h

Sicherheitsdaten

F
10-19
wgk
3
tsca
TSCA listed
ridadr
UN 3390 6.1/PG 1
hs_code
29049090
RTECS-Nr.
KI8060000
risk_code
22-26-34-36
Toxizität
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.
hazard_code
T+
safety_code
26-28-36/37/39-45-23
hazard_class
8
packing_group
II
Giftige Stoffe Daten
1622-32-8(Hazardous Substances Data)
1-Piperazinecarboxylic acid, 4-(ethenylsulfonyl)-, phenylmethyl ester
N-benzylethenesulfonamide
1-(Vinylsulfonyl)piperidine