(Pyrimidin-5-yl)methanol

HCID 15466386

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Grundinformationen

CAS: 25193-95-7
Standard-SMILES: OCc1cncnc1
InChIKey: TYRDEZUMAVRTEO-UHFFFAOYSA-N
Summenformel: C5H6N2O
Durchschnittliche Molmasse: 110,11 g/mol
Monoisotopische Masse: 110,04801282

Namen und Bezeichner

Bevorzugter Name: (Pyrimidin-5-yl)methanol
IUPAC: pyrimidin-5-ylmethanol
Englischer Name: 5-Pyrimidinemethanol
Summenformel: C5H6N2O
Molmasse: 110.11

Namen und Synonyme

5-Pyrimidinemethanol25193-95-7(pyrimidin-5-yl)methanolDTXSID50573017RefChem:406922DTXCID00523789690-842-05-(Hydroxymethyl)pyrimidinepyrimidin-5-ylmethanolMFCD037896235-hydroxymethylpyrimidinepyrimidine-5-methanol

Weitere Namen anzeigen

RARECHEM AK ML 05665-(Hydroxymethyl)pyrimidi...5-Pyrimidinemethanol (7CI,9CI)5-(Hydroxymethyl)pyrimidine 97%(PYRIMIDIN-5-YL)METHANOL,PURITY

5-pyrimidinylmethanolpyrimidin-5-yl-methanol5-pyrimidylmethyl alcoholpyrimidin-5-ylmethan-1-olSCHEMBL456193SCHEMBL456194SCHEMBL27729879TYRDEZUMAVRTEO-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 25193-95-7
PubChem CID: 15466386
DTXSID: DTXSID50573017
EC Number: 690-842-0
Nikkaji: J1.485.956J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,2
Polarare Oberfläche (TPSA): 46 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 61

Physikochemische Eigenschaften

Schmelzpunkt: 51 · 51-52 °C
Siedepunkt: 250.8 · 250.8±15.0 °C(Predicted)
Dichte: 1.227 · 1.227±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
pka: 13.43 · 13.43±0.10(Predicted)
Farbe: Yellow
CAS Datenbank: 25193 · 25193-95-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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, P317, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)

Sicherheitsdaten

hs_code: 2933599590

Chemie und Industrie

Anwendungen

Verwenden5-Pyrimidinemethanol is a reagent used in the synthesis of melanin-concentrating hormone receptor 1 antagonists.Also used in the preparation of annulated 5-aryl-substituted pyridines.