CAS 22177-92-0 4-(6-Chloropyrimidin-4-yl)morpholine (HCID 796070)

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Basic information

CAS: 22177-92-0
Standard SMILES: Clc1cc(N2CCOCC2)ncn1
InChIKey: CFOBQJWOZVMWBR-UHFFFAOYSA-N
Molecular formula: C8H10ClN3O
Average molar mass: 199.64 g/mol
Monoisotopic mass: 199.05123962

Names & identifiers

Preferred name: 4-(6-Chloropyrimidin-4-yl)morpholine
IUPAC: 4-(6-chloropyrimidin-4-yl)morpholine
English name: 4-(6-Chloropyrimidin-4-yl)morpholine
Molecular formula: C8H10ClN3O
Molecular weight: 199.64

Names & synonyms

4-(6-chloropyrimidin-4-yl)morpholine22177-92-0DTXSID30355297RefChem:288375DTXCID00306357681-836-94-(6-Chloro-4-pyrimidinyl)morpholineMFCD00466219SCHEMBL2570384HMS1581A01STK844595AKOS000554356

Show more names

4-Chloro-6-morpholinopyrimidine4-Chloro-6-(morpholin-4-yl)pyrimidineMorpholine, 4-(6-chloro-4-pyrimidinyl)-4-(6-Chloropyrimidin-4-yl)morpholine, CAS 22177-92-04-(6-chloro-4-pyrimidinyl)morpholine(SALTDATA: FREE)

AB06261PS-3515AM86771Morpholine,4-(6-chloro-4-pyrimidinyl)-DA-22393SY185339CS-0171628EN300-77833

Database identifiers

CAS: 22177-92-0
PubChem CID: 796070
DTXSID: DTXSID30355297
EC Number: 681-836-9
Nikkaji: J3.047.756A

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 149 · 149-150℃
Boiling point: 366 · 366.0±42.0 °C(Predicted)
Density: 1.32 · 1.320±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 2.97 · 2.97±0.26(Predicted)
form: solid
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.