Pyrrolidine,1-[(4-nitrophenyl)sulfonyl]- supplier

Name
1-[(4-NITROPHENYL)SULFONYL]PYRROLIDINE
EINECS
CAS No. 175278-37-2
Article Data9
CAS DataBase
Density 1.432 g/cm³
Solubility
Melting Point 151 °C
Formula C₁₀H₁₂N₂O₄S
Boiling Point 424.8 °C at 760 mmHg
Molecular Weight 256.282
Flash Point 210.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Nitro-1-(pyrrolidinylsulfonyl)benzene;1-[(4-nitrophenyl)sulfonyl]pyrrolidine;pyrrolidine, 1-[(4-nitrophenyl)sulfonyl]-;
PSA 91.58000
LogP 2.92120

Pyrrolidine,1-[(4-nitrophenyl)sulfonyl]- Specification

The Pyrrolidine,1-[(4-nitrophenyl)sulfonyl]-, with the CAS registry number 175278-37-2, has the systematic name of 1-[(4-nitrophenyl)sulfonyl]pyrrolidine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₁₂N₂O₄S.

The characteristics of Pyrrolidine,1-[(4-nitrophenyl)sulfonyl]- are as followings: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 91.58 Å²; (7)Index of Refraction: 1.609; (8)Molar Refractivity: 61.96 cm³; (9)Molar Volume: 178.8 cm³; (10)Polarizability: 24.56×10^-24cm³; (11)Surface Tension: 59.8 dyne/cm; (12)Density: 1.432 g/cm³; (13)Flash Point: 210.7 °C; (14)Enthalpy of Vaporization: 67.94 kJ/mol; (15)Boiling Point: 424.8 °C at 760 mmHg; (16)Vapour Pressure: 2.01E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccc([N+]([O-])=O)cc1)N2CCCC2
(2)InChI: InChI=1/C10H12N2O4S/c13-12(14)9-3-5-10(6-4-9)17(15,16)11-7-1-2-8-11/h3-6H,1-2,7-8H2
(3)InChIKey: FFCUNTGOHGZCQO-UHFFFAOYAN

Product Name

1-[(4-NITROPHENYL)SULFONYL]PYRROLIDINE

Pyrrolidine,1-[(4-nitrophenyl)sulfonyl]- Specification

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