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CAS Number: 60682-95-3
diethyl (tosylmethyl)phosphonate

Structure

diethyl (tosylmethyl)phosphonate
Name: diethyl (tosylmethyl)phosphonate
Synonyms:
General Information
Product Number: 60682953
CAS Registry Number: 60682-95-3
Name:
Phosphonic acid, P-​[[(4-​methylphenyl)​sulfonyl]​methyl]​-​, diethyl ester
Phosphonic acid, [[(4-​methylphenyl)​sulfonyl]​methyl]​-​, diethyl ester (9CI); (Diethoxyphosphinyl)​methyl 4-​tolyl sulfone; Diethyl tosylmethylphosphate 
 
Chemical Formula: C12H19O5PS
Exact Mass: 306.07
Molecular Weight: 306.32
m/z: 306.07 (100.0%), 307.07 (14.0%), 308.06 (4.5%), 308.07 (1.1%)
Elemental Analysis: C, 47.05; H, 6.25; O, 26.12; P, 10.11; S, 10.47
 
InChI: InChI=1S/C12H19O5PS/c1-4-16-18(13,17-5-2)10-19(14,15)12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKey: LBFOEWHXHLPENT-UHFFFAOYSA-N
Canonical SMILES : CCOP(=O)(CS(=O)(=O)C1=CC=C(C=C1)C)OCC
 
Thermal Properties Value Condition Note
Melting Point 73.5-74.5 °C   (2)IC
Melting Point 59 °C   (1)CAS

Specification

98%

References
  1. (1) Stokes, Benjamin J.; Journal of the American Chemical Society 2011, V133(13), P4702-4705 CAPLUS
  2. (2) Yuan, Chengye; Huaxue Xuebao 1987, V45(2), P180-4 CAPLUS
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