Diethyl (4-aminobenzyl)phosphonate

Basic Information

View in Editor

CAS Number

20074-79-7

Molecular Formula

C11H18NO3P

Molecular Weight

243.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

90-94 °C

Water Solubility

Soluble in methylene chloride, acetone and benzene. Insoluble in water.

SMILES

View in Editor

CCOP(=O)(CC1=CC=C(C=C1)N)OCC

InChI

InChI=1S/C11H18NO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9,12H2,1-2H3

InChIKey

ZVAYUUUQOCPZCZ-UHFFFAOYSA-N

LogP

3.0349000000000004

Topological Polar Surface Area

61.55 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

229

Synonyms & References

English

FT-0637945
C11H18NO3P
Diethyl p-aminobenzylphosphonate
(p-Aminobenzyl)phosphonic acid, diethyl ester
20074-79-7
J-012994
A814221
AS-70712
SCHEMBL479061
WLN: ZR D1PO&O2&O2
AKOS015916672
Diethyl (4-aminobenzyl)phosphonate
Diethyl 4-aminobenzylphosphonate
Phosphonic acid, P-[(4-aminophenyl)methyl]-, diethyl ester
NSC 84194
diethyl (4-aminophenyl)methylphosphonate
NSC84194
CS-0132412
NSC-84194
Phosphonic acid, ((4-aminophenyl)methyl)-, diethyl ester
CHEMBL1818155
NS00026514
BRN 2941613
4-(diethoxyphosphorylmethyl)aniline
4-16-00-01131 (Beilstein Handbook Reference)
diethyl(4-aminobenzyl)phosphonate
DTXSID70173896
diethyl 4-(amino)benzylphosphonate
Phosphonic acid, p-aminobenzyl-, diethyl ester
Phosphonic acid, [(4-aminophenyl)methyl]-, diethyl ester
Diethyl (p-aminobenzyl)phosphonate

MDL Number

MFCD00007913

Customs Code

2931900090

FAQ

What regulatory guidelines apply to Diethyl (4-aminobenzyl)phosphonate (CAS: 20074-79-7)?

Diethyl (4-aminobenzyl)phosphonate (CAS: 20074-79-7) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is classified as a toxic substance. In the European Union, it must comply with REACH regulations, and in the United States, the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific handling and reporting requirements for this compound.

Are there alternatives to Diethyl (4-aminobenzyl)phosphonate (CAS: 20074-79-7) in synthesis?

Yes, there are alternatives to Diethyl (4-aminobenzyl)phosphonate (CAS: 20074-79-7) in synthesis, such as other phosphonates like diethyl (4-nitrobenzyl)phosphonate or different functional groups like amines or alcohols. These alternatives can offer similar reactivity but with different properties, making them suitable for specific applications.

What is the market or research trend for Diethyl (4-aminobenzyl)phosphonate (CAS: 20074-79-7)?

The market for Diethyl (4-aminobenzyl)phosphonate (CAS: 20074-79-7) is growing due to its use in pharmaceuticals and agrochemicals. Research trends are focusing on its applications in drug design and development, particularly in the synthesis of new compounds with improved efficacy. The trend also includes exploring its use in pesticide formulations to enhance crop protection.

How should waste containing Diethyl (4-aminobenzyl)phosphonate (CAS: 20074-79-7) be handled?

Waste containing Diethyl (4-aminobenzyl)phosphonate (CAS: 20074-79-7) should be collected in designated containers and stored properly to prevent contamination. The waste should be treated through incineration or professional disposal methods to minimize environmental impact. It is crucial to follow local regulations and guidelines for hazardous waste management to ensure safety and compliance.