Morpholine,4-[(4-nitrophenyl)sulfonyl]- supplier

Name
4-[(4-NITROPHENYL)SULFONYL]MORPHOLINE
EINECS
CAS No. 1024-30-2
Article Data27
CAS DataBase
Density 1.45 g/cm³
Solubility
Melting Point 173 °C
Formula C₁₀H₁₂N₂O₅S
Boiling Point 458.4 °C at 760 mmHg
Molecular Weight 272.282
Flash Point 231 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms Morpholine,4-[(p-nitrophenyl)sulfonyl]- (7CI,8CI);NSC 38560;4-[(4-Nitrophenyl)sulfonyl]morpholine;N-(4-Nitrophenylsulfonyl)morpholine;
PSA 100.81000
LogP 2.15760

Morpholine,4-[(4-nitrophenyl)sulfonyl]- Specification

The IUPAC name of Morpholine,4-[(4-nitrophenyl)sulfonyl]- is 4-(4-nitrophenyl)sulfonylmorpholine. With the CAS registry number 1024-30-2, it is also named as N-(4-Nitrophenylsulfonyl)morpholine. In addition, its molecular formula is C₁₀H₁₂N₂O₅S and its molecular weight is 272.28.

The other characteristics of Morpholine,4-[(4-nitrophenyl)sulfonyl]- can be summarized as: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)XLogP3-AA: 0.5; (7)Rotatable Bond Count: 2; (8)Exact Mass: 272.046692; (9)MonoIsotopic Mass: 272.046692; (10)Topological Polar Surface Area: 101; (11)Heavy Atom Count: 18; (12)Complexity: 386; (13)Polar Surface Area: 100.81 Å²; (14)Index of Refraction: 1.594; (15)Molar Refractivity: 63.7 cm³; (16)Molar Volume: 187.6 cm³; (17)Polarizability: 25.25×10^-24cm³; (18)Surface Tension: 57.9 dyne/cm; (19)Density: 1.45 g/cm³; (20)Flash Point: 231 °C; (21)Melting Point: 173 °C; (22)Enthalpy of Vaporization: 71.87 kJ/mol; (23)Boiling Point: 458.4 °C at 760 mmHg; (24)Vapour Pressure: 1.38E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(N1CCOCC1)c2ccc([N+]([O-])=O)cc2
(2)InChI: InChI=1/C10H12N2O5S/c13-12(14)9-1-3-10(4-2-9)18(15,16)11-5-7-17-8-6-11/h1-4H,5-8H2
(3)InChIKey: ORGHDHBPWCKATA-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H12N2O5S/c13-12(14)9-1-3-10(4-2-9)18(15,16)11-5-7-17-8-6-11/h1-4H,5-8H2
(5)Std. InChIKey: ORGHDHBPWCKATA-UHFFFAOYSA-N

Product Name

4-[(4-NITROPHENYL)SULFONYL]MORPHOLINE

Morpholine,4-[(4-nitrophenyl)sulfonyl]- Specification

Related Products

Hot Products