Propansulfonylchlorid

1-Propanesulfonyl chloride

HCID 66279CAS 10147-36-1

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Grundinformationen

Standard-SMILES: CCCS(=O)(=O)Cl
InChIKey: KPBSJEBFALFJTO-UHFFFAOYSA-N
Summenformel: C3H7ClO2S
Durchschnittliche Molmasse: 142,61 g/mol
Monoisotopische Masse: 141,98552814

Namen und Bezeichner

Bevorzugter Name: 1-Propanesulfonyl chloride
IUPAC: propane-1-sulfonyl chloride
Lokaler Name: Propansulfonylchlorid
Englischer Name: 1-Propanesulfonyl chloride
Summenformel: C3H7ClO2S
Molmasse: 142.6

Namen und Synonyme

1-Propanesulfonyl chloridePropanesulfonyl chloridePropanesulphonyl chloriden-propanesulfonyl chlorideMHH8GN4LBVn-propanesulphonyl chloride1-propanesulphonyl chlorideEINECS 233-414-7DTXSID4064973PROPAN-1-SULFONYL CHLORIDEPROPAN-1-SULPHONYL CHLORIDERefChem:77140

Weitere Namen anzeigen

PROPANE SULFONYL CHLORIDETirofiban Impurity 73Propyl sulfonyl chloride1-PropanesulfonylChloride>Propane-1-sulphonyl chloridePropanesulphonyl chloride，>98%1-Propanesulfonyl chloride,99%

DTXCID2032639InChI=1/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1HKPBSJEBFALFJTO-UHFFFAOYSA-NPropane-1-sulfonyl chloride10147-36-11-Propane Sulfonyl Chloridepropylsulfonyl chlorideMFCD00007462

Datenbank-Bezeichner

CAS: 10147-36-1
PubChem CID: 66279
DTXSID: DTXSID4064973
UNII: MHH8GN4LBV
EC Number: 233-414-7
Nikkaji: J192.746I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 42,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 120

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: -37 °C · -37 °C
Siedepunkt: 78 · 78-79 °C/15 mmHg (lit.)
Dichte: 1.267 g/mL · 1.267 g/mL at 25 °C (lit.)
Dampfdichte: 4.9 · 4.9 (vs air)
Brechungsindex: 20 · n20/D 1.453(lit.)
Flammpunkt: 176 °F · 176 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wasserlöslichkeit: Decomposes in hot water.
BRN: 1747500 · 1747500
InChI: 1S/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3
InChIKey: KPBSJEBFALFJTO-UHFFFAOYSA-N
SMILES: CCCS(Cl)(=O)=O
CAS Datenbank: 10147 · 10147-36-1(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Propanesulfonyl chloride(10147-36-1)
EPA chemische Informationen: 1 · 1-Propanesulfonyl chloride (10147-36-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 156 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 19-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30670

1-Propanesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1C (100%)

Sicherheitsdaten

F: 10-19-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29049090
risk_code: 14-34-36-R36-R34-R14
hazard_code: C
safety_code: 26-36/37/39-45-S45-S36/37/39-S26
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Irrit. 2Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Propanesulfonyl chloride: ACTIVE

Anwendungen · 2 Einträge

Beschreibung1-Propanesulfonyl chloride is a highly reactive sulfonyl chloride derivative that is highly hygroscopic. It is primarily used as a pharmaceutical intermediate or an organic synthesis reagent in the preparation of sulfonamide drugs, such as abrocitinib and vemurafenib.

Verwenden1-Propanesulfonyl chloride was used in synthesis of 1-alkyl-3-methylimidazolium alkanesulfonate ionic liquids.