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CAS No.: | 61714-46-3 |
---|---|
Name: | 2-CHLORO-3-NITROTHIOPHENE-5-SULFONAMIDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C4H3ClN2O4S2 |
Molecular Weight: | 242.664 |
Synonyms: | 5-Chloro-4-nitrothiophene-2-sulfonamide; |
Density: | 1.843 g/cm3 |
Melting Point: | 160 °C |
Boiling Point: | 471 °C at 760 mmHg |
Flash Point: | 238.6 °C |
Hazard Symbols: | Xi |
PSA: | 142.60000 |
LogP: | 3.26140 |
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This chemical is called 2-Thiophenesulfonamide, 5-chloro-4-nitro-, and its systematic name is 5-chloro-4-nitrothiophene-2-sulfonamide. With the molecular formula of C4H3ClN2O4S2, its molecular weight is 242.66. The CAS registry number of this chemical is 61714-46-3.
Other characteristics of the 2-Thiophenesulfonamide, 5-chloro-4-nitro- can be summarised as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.95; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 3.12; (6)ACD/BCF (pH 7.4): 3.07; (7)ACD/KOC (pH 5.5): 78.59; (8)ACD/KOC (pH 7.4): 77.2; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 119.82 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 48.19 cm3; (15)Molar Volume: 131.6 cm3; (16)Polarizability: 19.1×10-24cm3; (17)Surface Tension: 78.6 dyne/cm; (18)Density: 1.843 g/cm3; (19)Flash Point: 238.6 °C; (20)Enthalpy of Vaporization: 73.36 kJ/mol; (21)Boiling Point: 471 °C at 760 mmHg; (22)Vapour Pressure: 4.83E-09 mmHg at 25°C.
Uses of this chemical: The 2-Thiophenesulfonamide, 5-chloro-4-nitro- could react with mercaptosuccinic acid, and obtain the 2-(3-nitro-5-sulfamoyl-thiophen-2-ylsulfanyl)-succinic acid. This reaction needs the solvent of methanol. The yield is 66 %. In addition, this reaction should be taken at ambient temperature.
You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1cc(sc1Cl)S(=O)(=O)N
2.InChI: InChI=1/C4H3ClN2O4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H,(H2,6,10,11)
3.InChIKey: CKMLFNQCVNTKHN-UHFFFAOYAX