2-Pyrimidinemethanol

HCID 2763024CAS 42839-09-8

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Grundinformationen

Standard-SMILES: OCc1ncccn1
InChIKey: HZGCZRCZOMANHK-UHFFFAOYSA-N
Summenformel: C5H6N2O
Durchschnittliche Molmasse: 110,11 g/mol
Monoisotopische Masse: 110,04801282

Namen und Bezeichner

Bevorzugter Name: 2-Pyrimidinemethanol
IUPAC: pyrimidin-2-ylmethanol
Englischer Name: 2-Pyrimidinemethanol
Summenformel: C5H6N2O
Molmasse: 110.11

Namen und Synonyme

2-PYRIMIDINEMETHANOL42839-09-8(pyrimidin-2-yl)methanolDTXSID20376673RefChem:483438DTXCID20327701824-123-1Pyrimidin-2-ylmethanol2-(Hydroxymethyl)pyrimidineMFCD067962012-(hydroxymethyl)-Pyrimidine2-Pyrimidine-methanol

Weitere Namen anzeigen

2-(Hydroxymethyl)pyrimidi...2-Pyrimidinemethanol ISO 9001：2015 REACH(PYRIMIDIN-2-YL)METHANOL,PURITY:95% MIN(HPLC)

2-Hydroxymethylpyrimidine2-Pyrimidinemethanol (7CI,9CI)pyrimidin-2ylmethanolPyriMidin-2-ylMetharolpyrimidin-2-yl-methanol2-pyrimidylmethyl alcoholSCHEMBL239378SCHEMBL245143

Datenbank-Bezeichner

CAS: 42839-09-8
PubChem CID: 2763024
DTXSID: DTXSID20376673
ChEBI: CHEBI:228278
EC Number: 824-123-1
Nikkaji: J1.928.833A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,6
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

Siedepunkt: 198.2 · 198.2±23.0 °C(Predicted)
Dichte: 1.227 · 1.227±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 100 mg/ml; PBS (pH 7.2): 10 mg/ml
Aggregatzustand: A crystalline solid
pka: 13.61 · 13.61±0.10(Predicted)
Farbe: Colorless to light yellow
CAS Datenbank: 42839 · 42839-09-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]；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]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

ridadr: 1993
hs_code: 2933998090
hazard_class: 3
packing_group: Ⅲ

Chemie und Industrie

Anwendungen

Verwenden2-Pyrimidinemethanol is a reactant used in the synthesis of avanafil, which is used to treat erectile dysfunction. Also used in the synthesis of