CAS 68206-45-1 3-Nitro-2-pyridinesulfenyl (HCID 129283)

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Grundinformationen

CAS: 68206-45-1
Standard-SMILES: O=[N+]([O-])c1cccnc1SCl
InChIKey: WTKQMHWYSBWUBE-UHFFFAOYSA-N
Summenformel: C5H3ClN2O2S
Durchschnittliche Molmasse: 190,61 g/mol
Monoisotopische Masse: 189,9603762

Namen und Bezeichner

Bevorzugter Name: 3-Nitro-2-pyridinesulfenyl
IUPAC: (3-nitro-2-pyridinyl) thiohypochlorite
Englischer Name: 3-Nitro-2-pyridinesulfenyl chloride
Summenformel: C5H3ClN2O2S
Molmasse: 190.61

Namen und Synonyme

3-Nitro-2-pyridinesulfenyl chloride68206-45-1Npys3-Nitro-2-pyridinesulfenylNpys-ClDTXSID70218377RefChem:504419DTXCID90140868625-611-53-nitro-2-pyridinesulfenylchloride(3-nitropyridin-2-yl) thiohypochloritePyridine, 2-chlorothio-3-nitro-

Weitere Namen anzeigen

OxytocinImpurity163-Nitropyridin-2-yl hypochlorothioite2-Pyridinesulfenyl chloride, 3-nitro-(3-nitropyridin-2-yl)sulfanyl]chlorane3-Nitro-2-pyridinesulfenyl chloride 95%

2-(chlorosulfanyl)-3-nitropyridineMFCD00274609[(3-NITROPYRIDIN-2-YL)SULFANYL]CHLORANESCHEMBL795882chloro(3-nitro(2-pyridyl))thionitro-2-pyridinesulfenyl chlorideAKOS0158983843-Nitro-2-pyridinesulfenyl chloride #

Datenbank-Bezeichner

CAS: 68206-45-1
PubChem CID: 129283
DTXSID: DTXSID70218377
EC Number: 625-611-5
Nikkaji: J1.246.535A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 84 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 152

Physikochemische Eigenschaften

Schmelzpunkt: 205 °C · 205 °C (dec.) (lit.)
Siedepunkt: 376.8 · 376.8±27.0 °C(Predicted)
Dichte: 1.58 · 1.58±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: dichloromethane: soluble(lit.)
pka: -3.72 · -3.72±0.29(Predicted)
InChI: 1S/C5H3ClN2O2S/c6-11-5-4(8(9)10)2-1-3-7-5/h1-3H
InChIKey: WTKQMHWYSBWUBE-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cccnc1SCl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 39 reports by companies from 1 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 CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden3-Nitro-2-pyridinesulfenyl chloride (NpysCl) was employed as the starting material for the synthesis of N-, O- and S-Npys-protected amino acid.