CAS 10244-24-3 4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine (HCID 686334)

Names & identifiers

Preferred name: 4,4'-(6-Chloropyrimidine-2,4-diyl)dimorpholine
IUPAC: 4-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)morpholine
English name: 4,4'-(6-chloropyriMidine-2,4-diyl)diMorpholine
Molecular formula: C12H17ClN4O2
Molecular weight: 284.74

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 50.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 285

Physicochemical properties

Melting point: 139 · 139-142℃
Boiling point: 508.7 · 508.7±60.0 °C(Predicted)
Density: 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
form: solid
pka: 6.1 · 6.10±0.50(Predicted)
Appearance: White to light yellow Solid
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
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H332-H312-H319-H335
Precautionary statements: 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312
Hazard Codes: T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
WGK Germany: 3 · WGK 3
HS Code: 2933998090 · 2933998090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 Oral · Acute Tox. 3 Oral

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)

Safety data

wgk: WGK 3
hs_code: 2933998090
risk_code: 25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T
safety_code: 45
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H302-H315-H332-H312-H319-H335
Hazard Classifications: Acute Tox. 3 Oral
Precautionary statements: P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312