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Phenylphosphoramidic dichloride, also known as diphenylphosphorous dichloride, is a chemical compound with the formula (C6H5)2PCl2. It is a white to light yellow crystalline solid with a pungent odor and is highly reactive. phenylphosphoramidic dichloride is primarily used as a reagent in organic synthesis, particularly in the preparation of phosphoramidate esters. It also finds applications in the production of flame retardants, pesticides, and pharmaceuticals. Due to its potential for causing irritation, corrosion, and toxicity, phenylphosphoramidic dichloride is classified as a hazardous chemical and requires careful handling and storage.

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  • 6955-57-3 Structure
  • Basic information

    1. Product Name: phenylphosphoramidic dichloride
    2. Synonyms:
    3. CAS NO:6955-57-3
    4. Molecular Formula: C6H6Cl2NOP
    5. Molecular Weight: 209.9977
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 6955-57-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 282.8°C at 760 mmHg
    3. Flash Point: 124.8°C
    4. Appearance: N/A
    5. Density: 1.507g/cm3
    6. Vapor Pressure: 0.00328mmHg at 25°C
    7. Refractive Index: 1.602
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: phenylphosphoramidic dichloride(CAS DataBase Reference)
    11. NIST Chemistry Reference: phenylphosphoramidic dichloride(6955-57-3)
    12. EPA Substance Registry System: phenylphosphoramidic dichloride(6955-57-3)
  • 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: 6955-57-3(Hazardous Substances Data)

6955-57-3 Usage

Uses

Used in Organic Synthesis:
Phenylphosphoramidic dichloride is used as a reagent in organic synthesis for the preparation of phosphoramidate esters. Its high reactivity allows for the formation of various chemical compounds, making it a valuable component in the synthesis process.
Used in Flame Retardant Production:
In the flame retardant industry, phenylphosphoramidic dichloride is used as a key component in the production of flame retardants. These flame retardants are incorporated into various materials to enhance their fire resistance and safety properties.
Used in Pesticide Production:
Phenylphosphoramidic dichloride is utilized in the manufacturing process of certain pesticides. Its reactivity and ability to form stable compounds make it a suitable ingredient for developing effective pest control agents.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, phenylphosphoramidic dichloride is employed as a reagent in the synthesis of various pharmaceutical compounds. Its versatility in organic synthesis contributes to the development of new drugs and therapeutic agents.
As a hazardous chemical, phenylphosphoramidic dichloride requires proper handling, storage, and disposal to minimize its potential risks to human health and the environment.

Check Digit Verification of cas no

The CAS Registry Mumber 6955-57-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,9,5 and 5 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 6955-57:
(6*6)+(5*9)+(4*5)+(3*5)+(2*5)+(1*7)=133
133 % 10 = 3
So 6955-57-3 is a valid CAS Registry Number.

6955-57-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name N-dichlorophosphorylaniline

1.2 Other means of identification

Product number -
Other names phenylamidophosphoric dichloride

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:6955-57-3 SDS

6955-57-3Relevant articles and documents

Metal-Free Synthesis of N-Aryl-Substituted Azacycles from Cyclic Ethers Using POCl3

La, Minh Thanh,Kang, Soosung,Kim, Hee-Kwon

, p. 6689 - 6696 (2019/06/14)

A facile method for the synthesis of N-aryl-substituted azacycles from arylamines and cyclic ethers has been developed. In this study, arylamines were treated with cyclic ethers in the presence of POCl3 and DBU to provide five- A nd six-membered azacycles. Using this method, various azacycloalkanes, isoindolines, and tetrahydroisoquinolines were prepared in high yields. This synthetic method offers an efficient approach to the production of azacycles from cyclic ethers.

Design, synthesis, and biological evaluation of phosphoramide derivatives as urease inhibitors

Dominguez, Maria J.,Sanmartin, Carmen,Font, Maria,Palop, Juan A.,San Francisco, Sara,Urrutia, Oscar,Houdusse, Fabrice,Garcia-Mina, Jose M.

experimental part, p. 3721 - 3731 (2010/03/05)

The design, synthesis, and biological evaluation of phosphoramide derivatives as urease inhibitors to reduce the loss of ammonia has been carried out. Forty phosphorus derivatives were synthesized and their inhibitory activities evaluated against that of jack bean urease. In addition, in vivo assays have been carried out. All of the compounds were characterized by IR, 1H NMR, MS, and elemental microanalysis. In some cases, detailed molecular modeling studies were carried out, and these highlighted the interaction between the enzyme active center and the compounds and also the characteristics related to their activity as urease inhibitors. According to the IC50 values for in vitro inhibitory activity, 12 compounds showed values below 1 μM and 8 of them represent improvements of activity in comparison to the commercial urease inhibitor N-n-butylthiophosphorictriamide (NBPT) (100 nM) (AGROTAIN). On the basis of the activity results and the conclusions of the molecular modeling study, a structural model for new potential inhibitors has been defined.

2-AMINO-1,3,2λ5-OXAZAPHOSPHORINANE 2-OXIDES

Uryupin, A. B.,Kadyko, M. I.,Petrovskii, P. V.,Okruszek, A.,Kinas, R.,et al.

, p. 1433 - 1437 (2007/10/03)

1,3,2λ5- oxazaphosphorinane 2-oxide derivatives were obtained by phosphorylation of amines and amino acid esters.A method for synthesizing pure enantiomers of 2-phenylamino-1,3,2λ5-oxazaphosphorinane 2-oxide was elaborated.

CONFORMATIONS OF SATURATED SIX-MEMBERED-RING PHOSPHORUS HETEROCYCLES. SYNTHESES AND X-RAY CRYSTAL STRUCTURES OF THREE 2-ANILINO-2-OXO-5,5-DIMETHYL-1,3,2-OXAZAPHOSPHORINANES

Bentrude, Wesley G.,Setzer, William N.,Newton, M. Gary,Meehan, Edward J.,Ramli, Emmanuel,et al.

, p. 25 - 35 (2007/10/02)

Single-crystal X-ray structural determinations have been made on 2-anilino-2-oxo-5,5-dimethyl-1,3,2-oxazaphosphorinane, 1; 2-(4-fluoroanilino)-2-oxo-5,5-dimethyl-1,3,2-oxazaphosphorinane, 2; and 2-(4-dimethylaminoanilino)-2-oxo-5,5-dimethyl-1,3,2-oxazaphosphorinane, 3.Compounds 1 and 2 are isostructural and crystallize in the monoclinic space group P21/c with four molecules per unit cell.The cell dimensions for 1 are: a = 12.234(4) Angstroem, b = 8.891(3) Angstroem, c = 12.152(4) Angstroem, and B = 110.77(4) deg.The cell dimensions for 2 are: a = 12.505(1) Angstroem, b = 8.919(1) Angstroem, c = 12.211(1) Angstroem, and B = 109.14(1) deg.Compound 3 crystallizes in the monoclinic space group P21/n with four molecules per unit cell of dimensions a = 6.321(2) Angstroem, b = 19.963(3) Angstroem, c = 12.236(2) Angstroem, and B = 104.89(4) deg.Full-matrix least-squares refinement for each of the structures led to conventional R factors of 5.1percent for 1, 4.9percent for 2, and 9.5percent for 3.The conformation adopted by 1 and 2 is the chair conformation with the anilino substituent axial.Compound 3 adopts the alternative chair conformation with an equatorially disposed anilino substituent.Structural variations are found which can be attributed to the operation of exo and endo anomeric effects.

Contributions to the Chemistry of Boron, 138. N-Borylated Derivatives of Phosphoric Amides: Examples of Intermolecular Borotropy

Noeth, Heinrich,Storch, Wolfgang

, p. 2140 - 2156 (2007/10/02)

(Phosphorylamino)boranes of the type X2P(O)-NR'-BR2 (1-10) as well as 3B (11) have been prepared by several methods.Monomeric compounds are present in solution for X=R=N(CH3)2 and borotropic isomers X2P(NR')-O-BR2 were detected for X=Cl, N(CH3)2 and R=CH3.The borotropic equilibrium is established intermolecularly via dimers.This equilibrium lies fully on the side of the dimers for X=R=Cl and X=Cl, R=Br, respectively.This was ascertained for 2 (16) by an X-ray structure determination: the monomeric unit dimerizes to a molecule containing an eight-membered ring having a chair-like conformation.

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