2-Chloro-3-methoxypyrazine

HCID 11804891

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Grundinformationen

CAS: 40155-28-0
Standard-SMILES: COc1nccnc1Cl
InChIKey: PUMFABSDZOUISK-UHFFFAOYSA-N
Summenformel: C5H5ClN2O
Durchschnittliche Molmasse: 144,56 g/mol
Monoisotopische Masse: 144,0090405

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-3-methoxypyrazine
IUPAC: 2-chloro-3-methoxypyrazine
Englischer Name: 2-Chloro-3-methoxypyrazine
Summenformel: C5H5ClN2O
Molmasse: 144.56

Namen und Synonyme

2-Chloro-3-methoxypyrazine40155-28-0DTXSID80473011RefChem:258561DTXCID90423825640-211-02-chloro-3-methoxy-pyrazineMFCD02684324Pyrazine, 2-chloro-3-methoxy-2-methoxy-3-chloro-pyrazineSCHEMBL725143SCHEMBL1526566

Weitere Namen anzeigen

2-BROMOTHIAZOL-4-A...2-Chloro-3-Methoxy-pyrazin2-Chloro-3-methoxy-1,4-diazine2-CHLORO-3-METHOXY PYRAZINE,98+%

PUMFABSDZOUISK-UHFFFAOYSA-NAKOS010967030AC-8789CS-W019381MB02506PS-5653SY027676DB-011986

Datenbank-Bezeichner

CAS: 40155-28-0
PubChem CID: 11804891
DTXSID: DTXSID80473011
EC Number: 640-211-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 35 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 91

Physikochemische Eigenschaften

Schmelzpunkt: 31 · 31-32 °C
Siedepunkt: 180.3 · 180.3±35.0 °C(Predicted)
Dichte: 1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.48 · -1.48±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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.