3-(diethoxyphosphorylmethyl)benzonitrile

Modify Date: 2025-09-18 22:49:48

3-(diethoxyphosphorylmethyl)benzonitrile structure	Common Name	3-(diethoxyphosphorylmethyl)benzonitrile
	CAS Number	54049-93-3	Molecular Weight	253.23400
	Density	1.14g/cm3	Boiling Point	385.4ºC at 760 mmHg
	Molecular Formula	C₁₂H₁₆NO₃P	Melting Point	N/A
	MSDS	N/A	Flash Point	186.9ºC

Name	3-(diethoxyphosphorylmethyl)benzonitrile
Synonym	More Synonyms

Density	1.14g/cm3
Boiling Point	385.4ºC at 760 mmHg
Molecular Formula	C₁₂H₁₆NO₃P
Molecular Weight	253.23400
Flash Point	186.9ºC
Exact Mass	253.08700
PSA	69.13000
LogP	3.32438
Index of Refraction	1.498
InChIKey	ZPUYDPWWJCNLFT-UHFFFAOYSA-N
SMILES	CCOP(=O)(Cc1cccc(C#N)c1)OCC

m-cyanobenzyl b...

CAS#:28188-41-2

~83%

3-(diethoxyphos...

CAS#:54049-93-3

Literature: SmithKline Beecham Corporation Patent: US5861421 A1, 1999 ;

diethyl sodium ...

CAS#:2303-76-6

m-cyanobenzyl b...

CAS#:28188-41-2

~94%

3-(diethoxyphos...

CAS#:54049-93-3

Literature: Bigge, Christopher F.; Johnson, Graham; Ortwine, Daniel F.; Drummond, James T.; Retz, Daniel M.; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 8 p. 1371 - 1384

3-Bromobenzonitrile

CAS#:6952-59-6

Triethyl phosphite

CAS#:122-52-1

~94%

3-(diethoxyphos...

CAS#:54049-93-3

Literature: Armesto, Diego; Ortiz, Maria J.; Agarrabeitia, Antonia R.; Martin-Fontecha, Mar Organic Letters, 2005 , vol. 7, # 13 p. 2687 - 2690

m-cyanobenzyl b...

CAS#:28188-41-2

Triethyl phosphite

CAS#:122-52-1

3-(diethoxyphos...

CAS#:54049-93-3

Literature: Detert, Heiner; Sugiono, Erli Journal of Physical Organic Chemistry, 2000 , vol. 13, # 10 p. 587 - 590

3-Cyanobenzylch...

CAS#:64407-07-4

Triethyl phosphite

CAS#:122-52-1

3-(diethoxyphos...

CAS#:54049-93-3

Literature: Detert, Heiner; Schollmeyer, Dieter; Sugiono, Erli European Journal of Organic Chemistry, 2001 , # 15 p. 2927 - 2938

Triethyl phosphate

CAS#:78-40-0

3-Cyanobenzylch...

CAS#:64407-07-4

3-(diethoxyphos...

CAS#:54049-93-3

Literature: Deng, Lijuan; Guo, Xiuli; Zhai, Li; Song, Yuning; Chen, Hongfei; Zhan, Peng; Wu, Jingde; Liu, Xinyong Chemical Biology and Drug Design, 2012 , vol. 79, # 5 p. 731 - 739

Precursor 6
CAS#:28188-41-2 m-cyanobenzyl b... CAS#:2303-76-6 diethyl sodium ... CAS#:6952-59-6 3-Bromobenzonitrile CAS#:122-52-1 Triethyl phosphite
CAS#:64407-07-4 3-Cyanobenzylch... CAS#:78-40-0 Triethyl phosphate
DownStream 0

3-(diethylphosphonomethyl)benzonitrile

diethyl 3-cyanophenylmethylphosphonate

diethyl <(3-cyanophenyl)methyl>Phosphonic acid,[(3-cyanophenyl)methyl]-,diethyl ester

diethyl 3-(cyanobenzyl)phosphonate

(3-cyanobenzyl)phosphonic acid diethyl ester

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3-(diethoxyphosphorylmethyl)benzonitrile

Names

Chemical & Physical Properties

Synthetic Route

Precursor & DownStream

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.