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Name |
4-(2-Chloroethylsulfonyl)butanoic acid |
EINECS | N/A |
CAS No. | 75055-25-3 | Density | 1.388 g/cm3 |
PSA | 79.82000 | LogP | 1.58400 |
Solubility | N/A | Melting Point |
98 °C |
Formula | C6H11ClO4S | Boiling Point | 462.8 °C at 760 mmHg |
Molecular Weight | 214.67 | Flash Point | 233.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(2-Chloroethylsulfonyl)butanoic acid; |
The 4-(2-Chloroethylsulfonyl)butanoic acid with its cas register number is 75055-25-3. It also can be called as Butanoic acid,3-[(2-chloroethyl)sulfonyl]- and the Systematic name about this chemical is 4-[(2-chloroethyl)sulfonyl]butanoic acid.
Physical properties about 4-(2-Chloroethylsulfonyl)butanoic acid are: (1)ACD/BCF (pH 5.5): 1 (2)ACD/BCF (pH 7.4): 1 (3)ACD/KOC (pH 5.5): 1.28 (4)ACD/KOC (pH 7.4): 1 (5)#H bond acceptors: 4 (6)#H bond donors: 1 (7)#Freely Rotating Bonds: 6 (8)Polar Surface Area: 79.82Å2 (9)Index of Refraction: 1.495 (10)Molar Refractivity: 45.12 cm3 (11)Molar Volume: 154.6 cm3 (12)Polarizability: 17.88x10-24cm3 (13)Surface Tension: 51.5 dyne/cm; (14)Enthalpy of Vaporization: 79.32 kJ/mol (15)Vapour Pressure: 7.56E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCCS(=O)(=O)CCCC(O)=O
(2)InChI: InChI=1/C6H11ClO4S/c7-3-5-12(10,11)4-1-2-6(8)9/h1-5H2,(H,8,9)
(3)InChIKey: XOPHFHGOBYWODX-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H11ClO4S/c7-3-5-12(10,11)4-1-2-6(8)9/h1-5H2,(H,8,9)
(5)Std. InChIKey: XOPHFHGOBYWODX-UHFFFAOYSA-N