Grundinformationen
- Standard-SMILES
O=S(=O)(Cl)c1ccc(Cl)cc1- InChIKey
ZLYBFBAHAQEEQQ-UHFFFAOYSA-N- Summenformel
- C6H4Cl2O2S
- Durchschnittliche Molmasse
- 211,06 g/mol
- Monoisotopische Masse
- 209,93090573
Namen und Bezeichner
- Bevorzugter Name
- 4-Chlorobenzenesulfonyl chloride
- IUPAC
- 4-chlorobenzenesulfonyl chloride
- Lokaler Name
- 4-Chlorbenzolsulfonylchlorid
- Englischer Name
- 4-Chlorobenzenesulfonyl chloride
- Summenformel
- C6H4Cl2O2S
- Molmasse
- 211.07
Namen und Synonyme
4-Chlorobenzenesulfonyl chloride98-60-24-chlorobenzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 4-chloro-4-CHLOROPHENYLSULFONYL CHLORIDEHSDB 5318NSC 6956EINECS 202-685-3BRN 0511583UNII-H55O3362D6NSC-6956p-Chlorobenzenesulfochloride
Weitere Namen anzeigen
CHLOROBENZENESULFONYL CHLORIDE4-Chlorobenzene4-Chlorobenzenesulfop-Chlorbenzensulfochlorid4-Chlorophenylchloro sulfonep-Chlorobenzenesulfonylchlorip-chlorophenylsulfonylchloride4-chloro-benzenesulfonylchlorid
DTXSID4059174ZLYBFBAHAQEEQQ-UHFFFAOYSA-EC 202-685-34-CHLOROPHENYLSULFONYL CHLORIDE [HSDB]pChlorbenzensulfochloridRefChem:98547pChlorophenylsulfonyl chloride4chlorobenzenesulfonyl chloride
Datenbank-Bezeichner
- CAS
98-60-2- PubChem CID
- 7398
- DTXSID
DTXSID4059174- UNII
- H55O3362D6
- EC Number
- 202-685-3
- Nikkaji
- J16.838F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 42,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 211
Experimentelle und physikochemische Eigenschaften
Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesCrystal structure
Color/FormPRISMS OR PLATES FROM ETHER
SolubilityVERY SOL IN ETHER & BENZENE
Boiling Point141 °C @ 15 MM HG
Melting Point55 °C
Vapor Pressure0.00117 [mmHg]
Physical DescriptionWhite solid; [CHEMINFO]
Other Experimental PropertiesDECOMP IN HOT WATER & HOT ALCOHOL
Physikochemische Eigenschaften
- Schmelzpunkt
- 50 · 50-52 °C (lit.)
- Siedepunkt
- 141 °C/15 · 141 °C/15 mmHg (lit.)
- Dichte
- 1.5075 · 1.5075 (estimate)
- Flammpunkt
- 226 °F · 226 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Löslichkeit
- soluble in Toluene
- Aggregatzustand
- Liquid
- Farbe
- Clear
- Wasserlöslichkeit
- INSOLUBLE
- BRN
- 511583 · 511583
- InChI
- InChI=1S/C6H4Cl2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
- InChIKey
- ZLYBFBAHAQEEQQ-UHFFFAOYSA-N
- SMILES
- C1(S(Cl)(=O)=O)=CC=C(Cl)C=C1
- CAS Datenbank
- 98 · 98-60-2(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · 4-Chlorobenzenesulfonyl chloride(98-60-2)
- EPA chemische Informationen
- 4 · Benzenesulfonyl chloride, 4-chloro- (98-60-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 97 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 18-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/11530
4-Chlorobenzenesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Decomposes in water; A severe eye and moderate skin irritant based on animal studies; [CHEMINFO] Reacts violently with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause edema and chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- F
- 21
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29049020
- RTECS-Nr.
- DB8925000
- risk_code
- 34-37
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-28-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Giftige Stoffe Daten
- 98-60-2(Hazardous Substances Data)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzenesulfonyl chloride, 4-chloro-: ACTIVE
Anwendungen
Verwenden4-Chlorobenzenesulfonyl chloride was used in the synthesis of precursors for the 3,4-pyridyne generation.
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