4-(5-Bromopyrimidin-2-yl)morpholine

HCID 5144362CAS 84539-22-0

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Grundinformationen

Standard-SMILES: Brc1cnc(N2CCOCC2)nc1
InChIKey: CEXBOCXKAGPRHD-UHFFFAOYSA-N
Summenformel: C8H10BrN3O
Durchschnittliche Molmasse: 244,09 g/mol
Monoisotopische Masse: 243,00072

Namen und Bezeichner

Bevorzugter Name: 4-(5-Bromopyrimidin-2-yl)morpholine
IUPAC: 4-(5-bromopyrimidin-2-yl)morpholine
Englischer Name: 5-BROMO-2-MORPHOLIN-1-YL-PYRIMIDINE
Summenformel: C8H10BrN3O
Molmasse: 244.09

Namen und Synonyme

4-(5-Bromopyrimidin-2-yl)morpholine84539-22-0DTXSID40408748RefChem:288302DTXCID403596005-Bromo-2-morpholin-1-yl-pyrimidine5-BROMO-2-(4-MORPHOLINO)PYRIMIDINEMFCD004832514-(5-Bromo-pyrimidin-2-yl)-morpholineMORPHOLINE, 4-(5-BROMO-2-PYRIMIDINYL)-5-Bromo-2-morpholinopyrimidine5-Bromo-2-(4-morpholino)pyrimidine, AldrichCPR

Weitere Namen anzeigen

Molsidomine Impurity 104-(5-Bromo-2-pyrimidinyl)morpholine5-BROMO-2-(4-MORPHOLINO)-PYRIMIDINE5-BROMO-2-MORPHOLIN-1-YL-PYRIMIDINE ISO 9001：2015 REACH

2-Morpholino-5-bromopyrimidine5-Bromo-2-morpholin-1-ylpyrimidine5-Bromo-2-morpholin-4-ylpSCHEMBL1873066CEXBOCXKAGPRHD-UHFFFAOYSA-NHMS1625O04HMS5106J21ALBB-019386

Datenbank-Bezeichner

CAS: 84539-22-0
PubChem CID: 5144362
DTXSID: DTXSID40408748
EC Number: 809-811-1
Nikkaji: J2.442.898B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

Schmelzpunkt: 125 · 125.0-127.7 °C
Siedepunkt: 382.8 · 382.8±52.0 °C(Predicted)
Dichte: 1.57 · 1.570±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: Crystalline Powder
pka: 3.23 · 3.23±0.42(Predicted)
Farbe: White to off-white
InChI: 1S/C8H10BrN3O/c9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKey: CEXBOCXKAGPRHD-UHFFFAOYSA-N
SMILES: Brc1cnc(nc1)N2CCOCC2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 29335995
risk_code: 22
hazard_code: Xi,Xn
hazard_note: Irritant
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 Oral