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HCID 686334Erstellt: 27. Oktober 2026

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

100056 · EOS-61273 · Poloxamer 124 (L44) · 6-Chloro-2,4-di(4-morpholinyl) · 4-chloro-2,6-diMorpholinopyriMidine · 2,4-Dimorpholino-6-chloropyrimidine · 6-Chloro-2,4-di(4-morpholinyl)pyrimidine · 6-Chloro-2,4-bis(4-Morpholinyl)pyriMidine

https://huagongshe.com/de/chemical/686334

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

Identifikatoren & physikalische Daten

CAS No.	10244-24-3
Summenformel	C12H17ClN4O2
Durchschnittliche Molmasse	284,74 g/mol
Monoisotopische Masse	284,1040035 g/mol
SMILES	Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIKey	KIWUTYCMQNZUPX-UHFFFAOYSA-N
PubChem CID	686334
EC No.	696-239-9
DTXSID	DTXSID00350698

Chemische & physikalische Eigenschaften

XLogP	1,3
Polarare Oberfläche (TPSA)	50,7
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	2
Schwere Atome	19
Formalladung	0
Komplexität	285
Schmelzpunkt	139-142℃
Siedepunkt	508.7±60.0 °C(Predicted)
Dichte	1.327±0.06 g/cm3 (20 ºC 760 Torr)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand	solid
pKa (Säurekonstante)	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 & Vorschriften

GHS-Einstufung	DangerH301 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 3 (33.3%)Acute Tox. 4 (66.7%)Skin Irrit. 2 (66.7%)Eye Irrit. 2 (66.7%)STOT SE 3 (66.7%)
Wassergefährdungsklasse (WGK)	WGK 3
Zollcode	2933998090
R-Sätze (R)	25
Gefahrensymbole	T
Sicherheitshinweise (S)	45
Lagerklasse	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Gefahrenklasse	Acute Tox. 3 Oral

CAS No.

10244-24-3

Summenformel

C12H17ClN4O2

Durchschnittliche Molmasse

284,74 g/mol

Monoisotopische Masse

284,1040035 g/mol

SMILES

Clc1cc(N2CCOCC2)nc(N2CCOCC2)n1

InChIKey

KIWUTYCMQNZUPX-UHFFFAOYSA-N

PubChem CID

686334

EC No.

696-239-9

DTXSID

DTXSID00350698

Chemische & physikalische Eigenschaften

XLogP

1,3

Polarare Oberfläche (TPSA)

50,7

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

285

Schmelzpunkt

139-142℃

Siedepunkt

508.7±60.0 °C(Predicted)

Dichte

1.327±0.06 g/cm3 (20 ºC 760 Torr)

Lagerbedingungen

under inert gas (nitrogen or Argon) at 2-8°C

Aggregatzustand

solid

pKa (Säurekonstante)

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 & Vorschriften

GHS-Einstufung

DangerH301 (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 exposureRespiratory 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.

Hazard Classes and Categories

Acute Tox. 3 (33.3%)Acute Tox. 4 (66.7%)Skin Irrit. 2 (66.7%)Eye Irrit. 2 (66.7%)STOT SE 3 (66.7%)

Wassergefährdungsklasse (WGK)

WGK 3

Zollcode

2933998090

R-Sätze (R)

Gefahrensymbole

Sicherheitshinweise (S)

Lagerklasse

6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

Gefahrenklasse

Acute Tox. 3 Oral