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CAS Number: 1552-41-6
diethyl 4-cyanobenzylphosphonate

Structure

diethyl 4-cyanobenzylphosphonate
Name: diethyl 4-cyanobenzylphosphonate
Synonyms:
General Information
Product Number: 1552416

CAS Registry Number 1552-41-6
Name:
Phosphonic acid, P-?[(4-?cyanophenyl)?methyl]?-?, diethyl ester
Phosphonic acid, (p-cyanobenzyl)-, diethyl ester (6CI,7CI,8CI)
Phosphonic acid, [(4-cyanophenyl)methyl]-, diethyl ester (9CI)
(4-Cyanobenzyl)phosphonic acid diethyl ester
4-(Diethoxyphosphorylmethyl)benzonitrile
Diethyl (p-cyanobenzyl)phosphonate

 

Chemical Formula: C12H16NO3P
Exact Mass: 253.09
Molecular Weight: 253.23
m/z: 253.09 (100.0%), 254.09 (13.3%), 255.09 (1.5%)

 

InChI:InChI=1S/C12H16NO3P/c1-3-15-17(14,16-4-2)10-12-7-5-11(9-13)6-8-12/h5-8H,3-4,10H2,1-2H3

InChI Key:MFXWOYIWKNJHPC-UHFFFAOYSA-N

Canonical SMILES:CCOP(=O)(CC1=CC=C(C=C1)C#N)OCC

 

Thermal Properties Value Condition Note
Boiling Point 165-169 °C   (1)CAS
Boiling Point 146-150 °C Press: 0.03 Torr (2)CAS
Boiling Point 144-146 °C Press: 0.2 Torr (3)CAS
Boiling Point See full text   (4)CAS
Melting Point 38-40 °C   (3)CAS
Melting Point 31 °C   (4)CAS

Specification

98%

References
  1. (1) Anon.; BE 641415 1964 CAPLUS
  2. (2) Kagan, Fred; Journal of the American Chemical Society 1959, V81, P3026-31 CAPLUS
  3. (3) Stilz, Walter; DE 1112072 1959 CAPLUS
  4. (4) Kreutzkamp, N.; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1961, V294, P49-56 CAPLUS
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