2-Chloro-5-(methylthio)pyrimidine

HCID 21979532CAS 115581-36-7

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Grundinformationen

Standard-SMILES: CSc1cnc(Cl)nc1
InChIKey: UGWJTFHCCZHCDI-UHFFFAOYSA-N
Summenformel: C5H5ClN2S
Durchschnittliche Molmasse: 160,63 g/mol
Monoisotopische Masse: 159,986197

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-5-(methylthio)pyrimidine
IUPAC: 2-chloro-5-methylsulfanylpyrimidine
Englischer Name: 2-chloro-5-(Methylthio)pyriMidine
Summenformel: C5H5ClN2S
Molmasse: 160.62

Namen und Synonyme

2-chloro-5-(methylthio)pyrimidine115581-36-7RefChem:469230889-029-5Pyrimidine, 2-chloro-5-(methylthio)-2-chloro-5-methylsulfanylpyrimidine2-chloro-5-methylsulfanyl-pyrimidineMFCD220449442-chloro-5-methylthiopyrimidine2-chloro-5-(methylsulfanyl)pyrimidineSCHEMBL2148442SCHEMBL2697579

Weitere Namen anzeigen

2-chloro-5-((methylthio)methyl)pyrimidine

UGWJTFHCCZHCDI-UHFFFAOYSA-N5-methylsulfanyl-2-chloropyrimidineQEA58136AKOS022187831DS-8793SB55492DA-26504SY162503

Datenbank-Bezeichner

CAS: 115581-36-7
PubChem CID: 21979532
EC Number: 889-029-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 51,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 83

Physikochemische Eigenschaften

Siedepunkt: 308.3 · 308.3±15.0 °C(Predicted)
Dichte: 1.37 · 1.37±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -1.78 · -1.78±0.22(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.