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CAS No.: | 175278-37-2 |
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Name: | 1-[(4-NITROPHENYL)SULFONYL]PYRROLIDINE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H12N2O4S |
Molecular Weight: | 256.282 |
Synonyms: | 4-Nitro-1-(pyrrolidinylsulfonyl)benzene;1-[(4-nitrophenyl)sulfonyl]pyrrolidine;pyrrolidine, 1-[(4-nitrophenyl)sulfonyl]-; |
Density: | 1.432 g/cm3 |
Melting Point: | 151 °C |
Boiling Point: | 424.8 °C at 760 mmHg |
Flash Point: | 210.7 °C |
PSA: | 91.58000 |
LogP: | 2.92120 |
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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