4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine

HCID 686334CAS 10244-24-3

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Grundinformationen

Standard-SMILES: Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIKey: KIWUTYCMQNZUPX-UHFFFAOYSA-N
Summenformel: C12H17ClN4O2
Durchschnittliche Molmasse: 284,74 g/mol
Monoisotopische Masse: 284,1040035

Namen und Bezeichner

Bevorzugter Name: 4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine
IUPAC: 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine
Englischer Name: 4,4'-(6-chloropyriMidine-2,4-diyl)diMorpholine
Summenformel: C12H17ClN4O2
Molmasse: 284.74

Namen und Synonyme

10244-24-34,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholineDTXSID00350698RefChem:284467DTXCID40301765696-239-96-Chloro-2,4-bis(4-morpholinyl)pyrimidineMorpholine, 4,4'-(6-chloro-2,4-pyrimidinediyl)bis-MFCD018731504-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine4-[4-chloro-6-(morpholin-4-yl)pyrimidin-2-yl]morpholine2,4-dimorpholino-6-chloropyrimidine

Weitere Namen anzeigen

100056EOS-61273Poloxamer 124 (L44)6-Chloro-2,4-di(4-morpholinyl)4-chloro-2,6-diMorpholinopyriMidine6-Chloro-2,4-di(4-morpholinyl)pyrimidine-(6-Chloropyrimidine-2,4-diyl)dimorpholine2,4-Bis(morpholin-4-yl)-6-chloropyrimidine

ChemDiv1_005701Oprea1_3245704,4/'-(6-Chloropyrimidine-2,4-diyl)dimorpholineSCHEMBL855348orb3143930HMS603D03KIWUTYCMQNZUPX-UHFFFAOYSA-NCS-M0292

Datenbank-Bezeichner

CAS: 10244-24-3
PubChem CID: 686334
DTXSID: DTXSID00350698
EC Number: 696-239-9
Nikkaji: J1.757.920G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 50,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 19
Formalladung: 0
Komplexität: 285

Physikochemische Eigenschaften

Schmelzpunkt: 139 · 139-142℃
Siedepunkt: 508.7 · 508.7±60.0 °C(Predicted)
Dichte: 1.327 · 1.327±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
pka: 6.1 · 6.10±0.50(Predicted)
InChI: 1S/C12H17ClN4O2/c13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17/h9H,1-8H2
InChIKey: KIWUTYCMQNZUPX-UHFFFAOYSA-N
SMILES: ClC1=CC(N2CCOCC2)=NC(N3CCOCC3)=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 3 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. 3 (33.3%)；Acute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2 (66.7%)；Acute Tox. 4 (66.7%)；STOT SE 3 (66.7%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933998090
risk_code: 25
hazard_code: T
safety_code: 45
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral