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CAS No.: | 60597-70-8 |
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Name: | 2-Chloro-3-(pyrrolidin-1-ylsulphonyl)pyridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H11ClN2O2S |
Molecular Weight: | 246.718 |
Synonyms: | Pyrrolidine,1-[(2-chloro-3-pyridinyl)sulfonyl]- (9CI);2-Chloro-3-[(pyrrolidin-1-yl)sulfonyl]pyridine; |
Density: | 1.432 g/cm3 |
Boiling Point: | 402.9 °C at 760 mmHg |
Flash Point: | 197.4 °C |
Hazard Symbols: | Xi |
PSA: | 58.65000 |
LogP: | 2.53820 |
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This chemical is called Pyridine, 2-chloro-3-(1-pyrrolidinylsulfonyl)-, and its systematic name is 2-chloro-3-pyrrolidin-1-ylsulfonyl-pyridine. With the molecular formula of C9H11ClN2O2S, its molecular weight is 246.71. The CAS registry number of this chemical is 60597-70-8. Additionally, its product categories are Blocks; Pyridines.
Other characteristics of the Pyridine, 2-chloro-3-(1-pyrrolidinylsulfonyl)- can be summarised as followings: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.73 ; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 58.65 Å2; (9)Index of Refraction: 1.595; (10)Molar Refractivity: 58.55 cm3; (11)Molar Volume: 172.2 cm3; (12)Polarizability: 23.21×10-24cm3; (13)Surface Tension: 56.9 dyne/cm; (14)Density: 1.432 g/cm3; (15)Flash Point: 197.4 °C; (16)Enthalpy of Vaporization: 65.41 kJ/mol; (17)Boiling Point: 402.9 °C at 760 mmHg; (18)Vapour Pressure: 1.06E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(c(nc1)Cl)S(=O)(=O)N2CCCC2
2.InChI: InChI=1/C9H11ClN2O2S/c10-9-8(4-3-5-11-9)15(13,14)12-6-1-2-7-12/h3-5H,1-2,6-7H2
3.InChIKey: BQNRIDNMAGXHAV-UHFFFAOYAH