2-Chloro-5-pyridinesulfonyl chloride

HCID 2792792

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Grundinformationen

CAS: 6684-39-5
Standard-SMILES: O=S(=O)(Cl)c1ccc(Cl)nc1
InChIKey: QXZKKHONVQGXAK-UHFFFAOYSA-N
Summenformel: C5H3Cl2NO2S
Durchschnittliche Molmasse: 212,05 g/mol
Monoisotopische Masse: 210,9261549

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-5-pyridinesulfonyl chloride
IUPAC: 6-chloropyridine-3-sulfonyl chloride
Englischer Name: 2-Chloropyridine-5-sulfonyl chloride
Summenformel: C5H3Cl2NO2S
Molmasse: 212.05

Namen und Synonyme

2-Chloro-5-pyridinesulfonyl chlorideRefChem:469450804-146-36684-39-52-Chloropyridine-5-sulfonyl chloride6-chloropyridine-3-sulfonyl Chloride6-chloro-3-pyridinesulfonyl chlorideMFCD035410492-Chloropyridine-5-sulfonylchloride6-Chloro-pyridine-3-sulfonyl chloridechloro(6-chloro(3-pyridyl))sulfone3-PYRIDINESULFONYL CHLORIDE, 6-CHLORO-

Weitere Namen anzeigen

AURORA 16313AKOS BBS-00006680OTAVA-BB BB71109513712-Chloropyridine-5-sulfonyl2-Chloropyridine-5-sulphonylchloride2-chloro-5-pyridinesulphonyl chloride3-Pyridinesulfonylchloride, 6-chloro-

SCHEMBL17509SCHEMBL29483829DTXSID903831372-Chloro-5-chlorosulfonylpyridineQXZKKHONVQGXAK-UHFFFAOYSA-N6-chloropyridin-3-sulfonylchloride2-Chloro-5-pyridinesulfonylchloride6-chloro-3-pyridylsulfonyl chloride

Datenbank-Bezeichner

CAS: 6684-39-5
PubChem CID: 2792792
DTXSID: DTXSID90383137
EC Number: 804-146-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 55,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 223

Physikochemische Eigenschaften

Schmelzpunkt: 51 °C · 51 °C
Siedepunkt: 132 °C · 132 °C(Press: 8 Torr)
Dichte: 1.615 · 1.615±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
pka: -5.29 · -5.29±0.10(Predicted)
InChI: InChI=1S/C5H3Cl2NO2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H
InChIKey: QXZKKHONVQGXAK-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=CC=C1S(Cl)(=O)=O
CAS Datenbank: 6684 · 6684-39-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302+H312+H332 (95%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (95%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (95%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (95%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)；Acute Tox. 4 (95%)；Skin Corr. 1B (95%)；Acute Tox. 4 (95%)

Sicherheitsdaten

wgk: WGK 3
ridadr: UN3261
hs_code: 2933399990
risk_code: 36
hazard_code: Xi
safety_code: 26
hazard_class: 8
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden6-Chloro-3-pyridinesulfonyl Chloride, is a heterocylic building block used for chemical synthesis. It is also an intermediate in the synthesis of 6-Aminopyridine-3-sulfonamide (A628835), that can be used as anticoccidial agents.