Pyridin, Verbindung mit Schwefeltrioxid

Sulfur trioxide-pyridine

HCID 168533CAS 26412-87-3

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Grundinformationen

Standard-SMILES: O=S(=O)=O.c1ccncc1
InChIKey: UDYFLDICVHJSOY-UHFFFAOYSA-N
Summenformel: C5H5NO3S
Durchschnittliche Molmasse: 159,17 g/mol
Monoisotopische Masse: 158,99901402

Überblick

See also: Pyridine, compound with sulfur trioxide (annotation moved to); Sulfur trioxide, compd. with pyridine (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: Sulfur trioxide-pyridine
IUPAC: pyridine;sulfur trioxide
Lokaler Name: Schwefeltrioxid-Pyridin (1:1)
Englischer Name: Pyridine sulfur trioxide
Summenformel: C5H5NO3S
Molmasse: 159.16

Namen und Synonyme

26412-87-3sulfur trioxide-pyridineSVL47N2N3YNSC-75831RefChem:1099229247-683-3Pyridine sulfur trioxidepyridine;sulfur trioxide28322-92-1Pyridine sulfotrioxideMFCD00012437Pyridine compound with sulfur trioxide (1:1)

Weitere Namen anzeigen

SULFUR TRIOXIDE PYRIDINE COMPLEXsulfur trioxide pyridinepyso3SO3.PyPYRIDINE SULFUR TRIOXIDE COMPLEXPyridineSO3NSC 75831fur trioxidePyridine suL

Pyridine, compound with sulphur trioxidepyridine; sulfonylideneoxidaneSulfur Trioxide-Pyridine; SO3-PyPyridine-Sulfur TrioxideSO3.PyridineSulphur trioxide--pyridine (1:1)EINECS 247-683-3EINECS 248-968-5

Datenbank-Bezeichner

CAS: 26412-87-3、28322-92-1
PubChem CID: 168533
DTXSID: DTXSID50885349
UNII: SVL47N2N3Y
EC Number: 247-683-3、248-968-5

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 65,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 92,8

Physikochemische Eigenschaften

Schmelzpunkt: 160 °C · ~160 °C
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Soluble in polar organic solvents.
Aggregatzustand: Powder
Farbe: White to beige
Wasserlöslichkeit: reacts
BRN: 3704116 · 3704116
InChI: InChI=1S/C5H5N.O3S/c1-2-4-6-5-3-1;1-4(2)3/h1-5H;
InChIKey: UDYFLDICVHJSOY-UHFFFAOYSA-N
SMILES: C1=CC=NC=C1.S(=O)(=O)=O
CAS Datenbank: 26412 · 26412-87-3(CAS DataBase Reference)
EPA chemische Informationen: Pyridine sulfur trioxide (26412-87-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 22-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11865

Sulfur trioxide pyridine complex: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

F: 3-10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29420000
risk_code: 22-34
Toxizität: LD50 orally in Rabbit: 500 - 2000 mg/kg
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
Selbstentzündungstemperatur: >350 °C

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information · 2 Einträge

Pyridine, compd. with sulfur trioxide (1:1): ACTIVE

Sulfur trioxide, compd. with pyridine (1:?): INACTIVE

Anwendungen · 2 Einträge

BeschreibungPyridine sulphur trioxide is an important reaction reagent that can react with various compounds such as aldehydes, anthracenes and pyrroles to produce other heterocyclic compounds. Pyridine sulphur trioxide is primarily used in addition reactions or sulphonation processes.

VerwendenPyridine-Sulfur Trioxide Complex is used in the sulfation of squid ink polysaccharides (SIPs) as a potential candidate compound for the prevention of tumor metastasis. Pyridine-Sulfur Trioxide Complex is also used in the preparation and anticoagulation test of sulfated silk fibroin.