4-(4,6-Dichloropyrimidin-2-yl)morpholine

HCID 2772068CAS 10397-13-4

Substructure search Find similar structures

Basic information

Standard SMILES: Clc1cc(Cl)nc(N2CCOCC2)n1
InChIKey: OXCOCPRVQUEIOL-UHFFFAOYSA-N
Molecular formula: C8H9Cl2N3O
Average molar mass: 234.08 g/mol
Monoisotopic mass: 233.01226727

Names & identifiers

Preferred name: 4-(4,6-Dichloropyrimidin-2-yl)morpholine
IUPAC: 4-(4,6-dichloropyrimidin-2-yl)morpholine
English name: 4-(4,6-Dichloropyrimidin-2-yl)morpholine
Molecular formula: C8H9Cl2N3O
Molecular weight: 234.08

Names & synonyms

4-(4,6-Dichloropyrimidin-2-yl)morpholine10397-13-44-(4,6-Dichloro-2-pyrimidyl)morpholineDTXSID00378175RefChem:513501DTXCID00329203600-506-74-(4,6-DICHLORO-PYRIMIDIN-2-YL)-MORPHOLINEMFCD050223592-Morpholine-4,6-dichloropyrimidine4-(4,6-DICHLORO-2-PYRIMIDINYL)MORPHOLINE4,6-dichloro-2-morpholinopyrimidine

Show more names

2-Morpholinyl-4,6-dichloropyrimidine4-(4,6-Dichlorpyrimidin-2-yl)morpholin4-(4,6-Dichloro-2-pyrimidyl)morpholine>

2-MORPHOLINO-4,6-DICHLOROPYRIMIDINEF1415-0001AB21529DS-19332-(4-Morpholino)-4,6-dichloropyrimidineD4069EN300-237595Morpholine, 4-(4,6-dichloro-2-pyrimidinyl)-

Database identifiers

CAS: 10397-13-4
PubChem CID: 2772068
DTXSID: DTXSID00378175
EC Number: 600-506-7
Nikkaji: J3.137.060D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 179

Physicochemical properties

Melting point: 139 to · 139.0 to 143.0 °C
Boiling point: 392.9 · 392.9±52.0 °C(Predicted)
Density: 1.435 · 1.435±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: soluble in Toluene
form: powder to crystal
pka: -1.07 · -1.07±0.50(Predicted)
color: White to Almost white
InChIKey: OXCOCPRVQUEIOL-UHFFFAOYSA-N
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-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29349990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313