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Phosphonic acid, [(3-nitrophenyl)methyl]-, diethyl ester is a chemical compound that belongs to the class of organophosphorus compounds. It contains two ethyl ester groups attached to a phosphonic acid core, with a nitrophenylmethyl group further attached to the phosphorus. Due to the presence of the nitro group in its structure, it could exhibit strong reactivity. The main potential uses and properties of Phosphonic acid, [(3-nitrophenyl)methyl]-, diethyl ester are largely dependent on its structure and can be hypothesized based on the behavior of similar compounds. Explicit information about Phosphonic acid, [(3-nitrophenyl)methyl]-, diethyl ester is not widely available, so precaution is always advised when handling.

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  • 104097-04-3 Structure
  • Basic information

    1. Product Name: Phosphonic acid, [(3-nitrophenyl)methyl]-, diethyl ester
    2. Synonyms:
    3. CAS NO:104097-04-3
    4. Molecular Formula: C11H16NO5P
    5. Molecular Weight: 273.226
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 104097-04-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Phosphonic acid, [(3-nitrophenyl)methyl]-, diethyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: Phosphonic acid, [(3-nitrophenyl)methyl]-, diethyl ester(104097-04-3)
    11. EPA Substance Registry System: Phosphonic acid, [(3-nitrophenyl)methyl]-, diethyl ester(104097-04-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 104097-04-3(Hazardous Substances Data)

104097-04-3 Usage

Uses

Used in Chemical Synthesis:
Phosphonic acid, [(3-nitrophenyl)methyl]-, diethyl ester is used as a reagent for the synthesis of various organic compounds. Its reactivity, stemming from the nitro group, allows it to participate in a range of chemical reactions, making it a valuable intermediate in the preparation of pharmaceuticals and other specialty chemicals.
Used in Research Applications:
In the field of scientific research, Phosphonic acid, [(3-nitrophenyl)methyl]-, diethyl ester is used as a model compound to study the properties and reactivity of organophosphorus compounds. Its unique structure provides insights into the behavior of similar compounds and contributes to the understanding of their potential applications in various industries.
Used in Pharmaceutical Development:
Phosphonic acid, [(3-nitrophenyl)methyl]-, diethyl ester is used as a lead compound in the development of new pharmaceuticals. Its structural features may offer potential therapeutic benefits, and researchers are exploring its properties to identify possible drug candidates for the treatment of various diseases.
Used in Material Science:
In material science, Phosphonic acid, [(3-nitrophenyl)methyl]-, diethyl ester is used as a component in the development of new materials with specific properties. Its chemical structure may contribute to the creation of materials with unique characteristics, such as improved stability or enhanced reactivity, which could be beneficial in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 104097-04-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,4,0,9 and 7 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 104097-04:
(8*1)+(7*0)+(6*4)+(5*0)+(4*9)+(3*7)+(2*0)+(1*4)=93
93 % 10 = 3
So 104097-04-3 is a valid CAS Registry Number.

104097-04-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(diethoxyphosphorylmethyl)-3-nitrobenzene

1.2 Other means of identification

Product number -
Other names diethyl m-nitrobenzylphosphonate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:104097-04-3 SDS

104097-04-3Relevant articles and documents

Photochemical Carbon-Phosphorus Bond Cleavage of Nitro-substituted Benzylphosphonic Acids

Okamoto, Yoshiki,Iwamoto, Narimasa,Takamuku, Setsuo

, p. 1516 - 1517 (1986)

Upon u.v.-irradiation, the C-P bond of p-nitrobenzylphosphonate is more readily cleaved to give a monomeric metaphosphate anion as intermediate than those of o- and m-derivatives.

Tunable photophysical properties of thiophene based chromophores: A conjoined experimental and theoretical investigation

Popczyk, Anna,Cheret, Yohan,Grabarz, Anna,Hanczyc, Piotr,Fita, Piotr,El-Ghayoury, Abdelkrim,Sznitko, Lech,Mysliwiec, Jaroslaw,Sahraoui, Bouchta

, p. 6728 - 6736 (2019)

In this paper we report the synthesis and photophysical properties of six novel thiophene derivatives (ThD) with D-π-A structure. The subject of this work is three nitrophenyls (1) BT-Th-NO2 and three benzonitriles (2) BT-Th-CN, substituted at

Synthesis and nonlinear optical properties of push-pull type stilbene and pyrazoline based chromophores

Szukalski,Parafiniuk,Haupa,Goldeman,Sahraoui,Kajzar,Mysliwiec

, p. 507 - 515 (2017/04/17)

In this work we present the synthesis, spectroscopic and nonlinear optical properties of push-pull type organic dyes based on 1-phenyl-2-pyrazoline or 4-(dimethylamino)phenyl chromophores as a donor part, and bridged by a double bound ortho- or meta-subst

AMIDE COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF

-

Paragraph 0454-0455, (2015/03/16)

The present disclosure relates to substituted amide compounds that are inhibitors of Fatty Acid Amide Hydrolase (FAAH), their stereoisomers, tautomers, prodrugs, polymorphs, solvates, pharmaceutically acceptable salts, and pharmaceutical compositions cont

Photoisomerization of Trans Ortho-, Meta-, Para-Nitro Diarylbutadienes: A Case of Regioselectivity

Agnihotri, Harsha,Paramasivam, Mahalingavelar,Palakollu, Veerabhadraiah,Kanvah, Sriram

, p. 1324 - 1331 (2015/11/10)

A series of ortho-, meta- and para-substituted trans-nitro aryl (phenyl and pyridyl) butadienes have been synthesized and characterized. The effect of substitution and positional selectivity on their fluorescence and photoisomerization were systematically investigated. Among all dienes, meta- and para-nitro phenyl-substituted derivatives exhibit remarkable solvatochromic emission shifts due to intramolecular charge transfer. On the other hand, ortho derivatives undergo regioselective isomerization upon photoexcitation in contrast to inefficient isomerization of para and meta nitro-substituted dienes. Single crystal X-ray analysis revealed existence of intramolecular hydrogen bonding between the nitro group and the hydrogen of the proximal double bond. This restricts the rotation of the proximal double bond thereby allowing regioselective isomerization. The observations were also supported by NMR spectroscopic studies.

Discovery and characterization of aryl isonitriles as a new class of compounds versus methicillin- and vancomycin-resistant Staphylococcus aureus

Davis, Dexter C.,Mohammad, Haroon,Kyei-Baffour, Kwaku,Younis, Waleed,Creemer, Cassidy Noel,Seleem, Mohamed N.,Dai, Mingji

, p. 384 - 390 (2015/07/20)

Methicillin- and vancomycin-resistant Staphylococcus aureus (MRSA and VRSA) have emerged as a global health concern. A new class of compounds featuring an aryl isonitrile moiety has been discovered that exhibits potent inhibitory activity against several clinically-relevant MRSA and VRSA isolates. Structure-activity relationship studies have been conducted to identify the aryl isonitrile group as the key functional group responsible for the observed antibacterial activity. The most potent antibacterial aryl isonitrile analogs (MIC 2 μM) did not show any toxicity against mammalian cells up to a concentration of 64 μM.

STAT3 DIMERIZATION INHIBITORS

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Page/Page column 65; 67, (2014/05/24)

The subject matter disclosed herein relates to compositions and methods of making and using the compositions. In a further aspect, the subject matter disclosed herein relates to inhibitors of STAT3 dimerization. Methods of making these compositions as wel

Development of new N-arylbenzamides as STAT3 dimerization inhibitors

Urlam, Murali K.,Pireddu, Roberta,Ge, Yiyu,Zhang, Xiaolei,Sun, Ying,Lawrence, Harshani R.,Guida, Wayne C.,Sebti, Said M.,Lawrence, Nicholas J.

supporting information, p. 932 - 941 (2013/07/27)

The O-tosylsalicylamide S3I-201 (10) was used as a starting point for design and synthesis of novel STAT-3 dimerization inhibitors with improved drug-like qualities. The phosphonic acid 12d and salicylic acids 13f, 13g with a shorter amide linker lacking

AMIDE COMPOUNDS, COMPOSITIONS AND APPLICATIONS THEREOF

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Page/Page column 141, (2013/04/10)

The present disclosure relates to substituted amide compounds that are inhibitors of Fatty Acid Amide Hydrolase (FAAH), their stereoisomers, tautomers, prodrugs, polymorphs, solvates, pharmaceutically acceptable salts, and pharmaceutical compositions cont

(1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS

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Page/Page column 75, (2011/05/11)

The present invention relates to (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl derivatives having the general formula (I) to pharmaceutical compositions comprising the same and to the use of these (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl

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