Aziridine, 1-((4-nitrophenyl)sulfonyl)- supplier

Name
1-[(4-nitrophenyl)sulfonyl]aziridine
EINECS
CAS No. 43090-97-7
Article Data9
CAS DataBase
Density 1.591 g/cm³
Solubility
Melting Point
Formula C₈H₈N₂O₄S
Boiling Point 405.2 °C at 760 mmHg
Molecular Weight 228.229
Flash Point 198.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Nitrophenyl)sulfonylaziridine;1-((4-Nitrophenyl)sulfonyl)aziridine;
PSA 91.35000
LogP 2.14100

Aziridine, 1-((4-nitrophenyl)sulfonyl)- Specification

The Aziridine, 1-((4-nitrophenyl)sulfonyl)-, with the CAS registry number 43090-97-7, is also known as 1-(4-Nitrophenyl)sulfonylaziridine and 1-((4-Nitrophenyl)sulfonyl)aziridine. This chemical's molecular formula is C₈H₈N₂O₄S and molecular weight is 228.2251. What's more, its IUPAC name is 1-(4-Nitrophenyl)sulfonylaziridine.

Physical properties about the Aziridine, 1-((4-nitrophenyl)sulfonyl)- are: (1) ACD/LogP: 0.86; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.86; (4) ACD/LogD (pH 7.4): 0.86; (5) ACD/BCF (pH 5.5): 2.65; (6) ACD/BCF (pH 7.4): 2.65; (7) ACD/KOC (pH 5.5): 70; (8) ACD/KOC (pH 7.4): 70; (9) #H bond acceptors: 6; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 91.35 Å²; (13) Index of Refraction: 1.656; (14) Molar Refractivity: 52.7 cm³; (15) Molar Volume: 143.4 cm³; (16) Polarizability: 20.89×10^-24 cm³; (17) Surface Tension: 71.7 dyne/cm; (18) Density: 1.591 g/cm³; (19) Flash Point: 198.9 °C; (20) Enthalpy of Vaporization: 65.68 kJ/mol; (21) Boiling Point: 405.2 °C at 760 mmHg; (22) Vapour Pressure: 8.9E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc([N+]([O-])=O)cc1)N2CC2
(2) InChI: InChI=1/C8H8N2O4S/c11-10(12)7-1-3-8(4-2-7)15(13,14)9-5-6-9/h1-4H,5-6H2
(3) InChIKey: ZGBAGAYAVNYGRR-UHFFFAOYAV

Product Name

1-[(4-nitrophenyl)sulfonyl]aziridine

Aziridine, 1-((4-nitrophenyl)sulfonyl)- Specification

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