4-(4-Nitrophenyl)morpholine

HCID 25222

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Basic information

CAS: 10389-51-2
Standard SMILES: O=[N+]([O-])c1ccc(N2CCOCC2)cc1
InChIKey: IAJDSUYFELYZCS-UHFFFAOYSA-N
Molecular formula: C10H12N2O3
Average molar mass: 208.21 g/mol
Monoisotopic mass: 208.08479224

Overview

structure in first source

Names & identifiers

Preferred name: 4-(4-Nitrophenyl)morpholine
IUPAC: 4-(4-nitrophenyl)morpholine
English name: 4-(4-NITROPHENYL)MORPHOLINE
Molecular formula: C10H12N2O3
Molecular weight: 208.21

Names & synonyms

4-(4-Nitrophenyl)morpholine10389-51-2Morpholine, 4-(4-nitrophenyl)-4-Morpholinonitrobenzenep-Morpholinonitrobenzene4-(p-Nitrophenyl)morpholineN-(p-Nitrophenyl)-morpholineMORPHOLINE, 4-(p-NITROPHENYL)-QQ5L4U8QQSNSC-27271DTXSID5065061RefChem:819480

Show more names

AURORA 1260BUTTPARK 97\12-12TIMTEC-BB SBB0063714-MORPHOLINO NITRO BENZENE4-Morpholino-1-nitrobenzene4-(p-nitrophenyl)-morpholin

DTXCID8032833233-851-34-Morpholinyl nitrobenzeneMFCD00023317N-(4-Nitrophenyl)morpholine4-(4-Nitrophenyl) Morpholine4-NitrophenylmorpholineLinezolid Impurity 27

Database identifiers

CAS: 10389-51-2
PubChem CID: 25222
DTXSID: DTXSID5065061
ChEMBL: CHEMBL1871103
UNII: QQ5L4U8QQS
EC Number: 233-851-3
Nikkaji: J39.632J

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 58.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 215

Physicochemical properties

Melting point: 152 °C · 152 °C
Boiling point: 386.2 · 386.2±37.0 °C(Predicted)
Density: 1.265 · 1.265±0.06 g/cm3(Predicted)
RTECS: 7405000 · QE7405000
storage temp.: 2 · Storage temp. 2-8°C
solubility: soluble in Dimethylformamide
form: powder to crystal
pka: 0.81 · 0.81±0.40(Predicted)
color: Light yellow to Yellow to Orange
λmax: 375 nm · 375nm(Dioxane)(lit.)
InChI: InChI=1S/C10H12N2O3/c13-12(14)10-3-1-9(2-4-10)11-5-7-15-8-6-11/h1-4H,5-8H2
InChIKey: IAJDSUYFELYZCS-UHFFFAOYSA-N
SMILES: N1(C2=CC=C([N+]([O-])=O)C=C2)CCOCC1
CAS DataBase Reference: 10389 · 10389-51-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 5 L4U8QQS · QQ5L4U8QQS
EPA Substance Registry System: 4 · Morpholine, 4-(4-nitrophenyl)- (10389-51-2)
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
Risk Statements: 40 · 40-42/43-63
Safety Statements: 26 · 26-36
RIDADR: 1662 · 1662
TSCA: TSCA listed
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.