2,4-Dichloro-5-methoxypyrimidine

HCID 601401CAS 19646-07-2

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Grundinformationen

Standard-SMILES: COc1cnc(Cl)nc1Cl
InChIKey: ZTHHRSBDBPCCMZ-UHFFFAOYSA-N
Summenformel: C5H4Cl2N2O
Durchschnittliche Molmasse: 179 g/mol
Monoisotopische Masse: 177,9700681

Namen und Bezeichner

Bevorzugter Name: 2,4-Dichloro-5-methoxypyrimidine
IUPAC: 2,4-dichloro-5-methoxypyrimidine
Englischer Name: 2,4-Dichloro-5-methoxypyrimidine
Summenformel: C5H4Cl2N2O
Molmasse: 179

Namen und Synonyme

2,4-Dichloro-5-methoxypyrimidine19646-07-2DTXSID00345044RefChem:82338DTXCID50296118628-558-6ZTHHRSBDBPCCMZ-UHFFFAOYSA-N2,4-Dichloro-5-methoxy-pyrimidineMFCD02685670Pyrimidine, 2,4-dichloro-5-methoxy-5-METHOXY-2,4-DICHLOROPYRIMIDINE5-METHOXY-2,4-DICHLORO PYRIMIDINE

Weitere Namen anzeigen

SPECS AO-324/25087002Acrylamide Impurity 23oro-5-methoxypyrimidine4-Dichloro-5-Methoxy pyriMidine2,4-Dichloro-5-methoxpyrimidine2,4-AICHLORO-5-METHOXY PYRIMIDINE2,4- twochloro -5-MethoxypyriMidine2,4-Dichloro-5-methoxypyrimidine>

SCHEMBL145005SCHEMBL295568502,4 dichloro-5-methoxypyrimidine2,4-Dichloro-5-methoxy-pyrimidin2,6-dichloro-5-methoxy pyrimidineSBB089497AKOS005256731AB12653

Datenbank-Bezeichner

CAS: 19646-07-2
PubChem CID: 601401
DTXSID: DTXSID00345044
EC Number: 628-558-6
Nikkaji: J526.225I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 35 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 114

Physikochemische Eigenschaften

Schmelzpunkt: 66 · 66-70 °C
Siedepunkt: 259.9 · 259.9±20.0 °C(Predicted)
Dichte: 1.446 · 1.446±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: -2.67 · -2.67±0.29(Predicted)
Farbe: White to Almost white
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C5H4Cl2N2O/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3
InChIKey: ZTHHRSBDBPCCMZ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(OC)C(Cl)=N1
CAS Datenbank: 19646 · 19646-07-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (95.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (95.2%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 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 (97.6%)；Skin Irrit. 2 (97.6%)；Eye Dam. 1 (95.2%)；STOT SE 3 (95.2%)

Sicherheitsdaten

wgk: 3
hs_code: 29335990
risk_code: 22-37/38-41
hazard_code: Xi,C,Xn
hazard_note: Harmful
safety_code: 26-39
hazard_class: IRRITANT, CORROSIVE
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,4-Dichloro-5-methoxypyrimidine can be used for preparation of heteroarylpiperazine derivatives for use in treatment of Alzheimer's disease.