Methanesulfonic acid, trifluoro-, 2-bromoethyl ester supplier

Name
2-Bromoethyl trifluoromethanesulphonate
EINECS
CAS No. 103935-47-3
Article Data1
CAS DataBase
Density 1.904 g/cm³
Solubility
Melting Point
Formula C₃H₄BrF₃O₃S
Boiling Point 188.733 °C at 760 mmHg
Molecular Weight 257.028
Flash Point 67.944 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromoethyl trifluoromethanesulfonate;
PSA 51.75000
LogP 2.32830

Methanesulfonic acid, trifluoro-, 2-bromoethyl ester Specification

The CAS registry number of Methanesulfonic acid, trifluoro-, 2-bromoethyl ester is 103935-47-3. The molecular formula of this chemical is C₃H₄BrF₃O₃S and molecular weight is 257.0263. Its systematic name is called 2-bromoethyl trifluoromethanesulfonate.

Physical properties about Methanesulfonic acid, trifluoro-, 2-bromoethyl ester are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 269; (8)ACD/KOC (pH 7.4): 269; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.426; (13)Molar Refractivity: 34.583 cm³; (14)Molar Volume: 135.024 cm³; (15)Surface Tension: 35.73 dyne/cm; (16)Density: 1.904 g/cm³; (17)Flash Point: 67.944 °C; (18)Enthalpy of Vaporization: 40.754 kJ/mol; (19)Boiling Point: 188.733 °C at 760 mmHg; (20)Vapour Pressure: 0.815 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)S(=O)(=O)OCCBr
(2)InChI: InChI=1/C3H4BrF3O3S/c4-1-2-10-11(8,9)3(5,6)7/h1-2H2
(3)InChIKey: KENPFZUYYWVXNW-UHFFFAOYAO

Product Name

2-Bromoethyl trifluoromethanesulphonate

Methanesulfonic acid, trifluoro-, 2-bromoethyl ester Specification

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