Morpholine,4-(3-nitrophenyl)- supplier

Name
4-(3-Nitrophenyl)morpholine
EINECS
CAS No. 116922-22-6
Article Data42
CAS DataBase
Density 1.265 g/cm³
Solubility
Melting Point 108-110 °C
Formula C₁₀H₁₂N₂O₃
Boiling Point 365.5 °C at 760 mmHg
Molecular Weight 208.217
Flash Point 174.9 °C
Transport Information
Appearance
Safety 22-26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 3-(4-Morpholinyl)nitrobenzene;3-Morpholino-1-nitrobenzene;3-Morpholinonitrobenzene;4-(3-Nitrophenyl)morpholine;
PSA 58.29000
LogP 2.01960

Morpholine,4-(3-nitrophenyl)- Specification

The Morpholine,4-(3-nitrophenyl)-, with the CAS registry number 116922-22-6, is also known as 3-Morpholinonitrobenzene. It belongs to the product categories of Pharmacetical; Phenyls & Phenyl-Het. This chemical's molecular formula is C₁₀H₁₂N₂O₃ and molecular weight is 208.21. What's more, its systematic name is 4-(3-nitrophenyl)morpholine.

Physical properties of Morpholine,4-(3-nitrophenyl)- are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 12.99; (6)ACD/BCF (pH 7.4): 13.02; (7)ACD/KOC (pH 5.5): 218.09; (8)ACD/KOC (pH 7.4): 218.45; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.29 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 54.6 cm³; (15)Molar Volume: 164.5 cm³; (16)Polarizability: 21.64×10^-24cm³; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.265 g/cm³; (19)Flash Point: 174.9 °C; (20)Enthalpy of Vaporization: 61.18 kJ/mol; (21)Boiling Point: 365.5 °C at 760 mmHg; (22)Vapour Pressure: 1.56E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COCCN1C2=CC(=CC=C2)[N+](=O)[O-]
(2)InChI: InChI=1S/C10H12N2O3/c13-12(14)10-3-1-2-9(8-10)11-4-6-15-7-5-11/h1-3,8H,4-7H2
(3)InChIKey: DKECFAGKGYRYAT-UHFFFAOYSA-N

Product Name

4-(3-Nitrophenyl)morpholine

Morpholine,4-(3-nitrophenyl)- Specification

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