2-[(4-Methoxyphenyl)sulfonyl]acetic acid ethyl ester supplier

Name
2-[(4-Methoxyphenyl)sulfonyl]acetic acid ethyl ester
EINECS
CAS No. 2850-21-7
Article Data13
CAS DataBase
Density 1.240g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O₅S
Boiling Point 418.7 °C at 760 mmHg
Molecular Weight 258.295
Flash Point 207 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, [(4-methoxyphenyl)sulfonyl]-, ethyl ester (9CI);Acetic acid,[(p-methoxyphenyl)sulfonyl]-, ethyl ester (7CI,8CI);(4-Methoxyphenylsulfonyl)acetic acid ethyl ester;Ethyl[(4-methoxyphenyl)sulfonyl]acetate;
PSA 78.05000
LogP 2.11280

2-[(4-Methoxyphenyl)sulfonyl]acetic acid ethyl ester Specification

The 2-[(4-Methoxyphenyl)sulfonyl]acetic acid ethyl ester with cas registry number of 2850-21-7, has the systematic name of ethyl [(4-methoxyphenyl)sulfonyl]acetate. And it is also named ethyl 2-[(4-methoxyphenyl)sulfonyl]acetate.

Physical properties about this chemical are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.88; (6)ACD/BCF (pH 7.4): 11.88; (7)ACD/KOC (pH 5.5): 204.64; (8)ACD/KOC (pH 7.4): 204.64; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 78.05 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 62.31 cm³; (15)Molar Volume: 208.2 cm³; (16)Polarizability: 24.7×10^-24cm³; (17)Surface Tension: 41.2 dyne/cm; (18)Enthalpy of Vaporization: 67.22 kJ/mol; (19)Vapour Pressure: 3.23E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CS(=O)(=O)c1ccc(OC)cc1;
(2)InChI: InChI=1/C11H14O5S/c1-3-16-11(12)8-17(13,14)10-6-4-9(15-2)5-7-10/h4-7H,3,8H2,1-2H3;
(3)InChIKey: HJUXYQLTIVYHIN-UHFFFAOYAJ;
(4)Std. InChI: InChI=1S/C11H14O5S/c1-3-16-11(12)8-17(13,14)10-6-4-9(15-2)5-7-10/h4-7H,3,8H2,1-2H3;
(5)Std. InChIKey: HJUXYQLTIVYHIN-UHFFFAOYSA-N

Product Name

2-[(4-Methoxyphenyl)sulfonyl]acetic acid ethyl ester

2-[(4-Methoxyphenyl)sulfonyl]acetic acid ethyl ester Specification

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