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10419-85-9

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10419-85-9 Usage

General Description

Diphenyl (chloromethyl)phosphonate, also known as DMCP, is a chemical compound with the formula C12H10ClO3P. It is a highly toxic substance that is used in the production of flame retardants, as well as in the synthesis of phosphorus-containing polymers and insecticides. DMCP is also known to be an effective inhibitor of acetylcholinesterase, an enzyme that plays a crucial role in the transmission of nerve impulses. Due to its toxicity and potential health hazards, DMCP is subject to strict regulations and safety measures in its handling and use. Additionally, its production and use are tightly controlled in many countries to minimize the risk of exposure and environmental contamination.

Check Digit Verification of cas no

The CAS Registry Mumber 10419-85-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,0,4,1 and 9 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 10419-85:
(7*1)+(6*0)+(5*4)+(4*1)+(3*9)+(2*8)+(1*5)=79
79 % 10 = 9
So 10419-85-9 is a valid CAS Registry Number.
InChI:InChI=1/C13H12ClO3P/c14-11-18(15,16-12-7-3-1-4-8-12)17-13-9-5-2-6-10-13/h1-10H,11H2

10419-85-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name [chloromethyl(phenoxy)phosphoryl]oxybenzene

1.2 Other means of identification

Product number -
Other names Diphenyl (chloromethyl)phosphonate

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:10419-85-9 SDS

10419-85-9Relevant articles and documents

[(Diphenoxyphosphinyl)methylidene]triphenylphosphorane - The double P +-stabilised carbanion: A crystallographic, computational and solution NMR comparative study on the ylidic bonding

Ch?cińska, Lilianna,Kudzin, Zbigniew H.,Ma?ecka, Magdalena,Nazarski, Ryszard B.,Okruszek, Andrzej

, p. 7681 - 7693 (2003)

The crystal and molecular structure of the title compound (1) was established by an X-ray diffraction analysis. Some geometrical parameters including a slightly pyramidal shape around its ylidic Cβ-atom were determined (trans-bent type conformation), providing evidence for a strong electron delocalisation in the PαCβP γOδ backbone. The charge density redistribution within this molecular unit and its other fully optimised geometries was evaluated in ab initio MO calculations using both the HF and DFT (B3LYP) formalism, which supported such a concept. As a result, the double zwitterionic form (structure C) was suggested as the best description of 1. The absence of an experimentally NMR observable 2JPα-Cβ -Hβ coupling was tentatively rationalised in terms of fast pyramidalisation of the Cβ-anionic site. Crystallographic and solution NMR data for ylide 1 were compared with those reported for the other mesomerically stabilised Wittig-type reagents and structurally related anionic species. It was concluded that all aforementioned systems have almost identical P-ylidic bonding most likely governed mainly by very strong electrostatic interactions, with a small contribution of negative hyperconjugation.

The molecular structure of chloromethylphosphine, CClH2PH2, as determined by gas-phase electron diffraction and ab initio computations

Brain, Paul T.,Rankin, David W. H.,Robertson, Heather E.,Downs, Anthony J.,Greene, Tim M.,et al.

, p. 135 - 144 (1995)

The gas-phase structure of chloromethylphosphine, CClH2PH2, has been determined by electron diffraction employing constraints derived from ab initio computations at the CISD(fc)/6-31+G** level.At 293 K, the compound exists in two conformations, anti and gauche (phosphorus lone pair relative to the C-Cl bond); the mole fraction of the gauche conformer is 0.22(5).Important experimental structural parameters (rg/pm, /deg) for the anti and gauche conformers, respectively, are (values without e.s.d.s. indicate that the difference between the parameters for the two conformers was fixed at the theoretical value): r(C-P) = 186.3(3), 187.4; r(C-Cl) = 179.1(5), 179.0; r(P-H) = 141.5(4), 142.9; PCCl = 115.7(1), 107.8(5) .The large difference between the PCCl angles in the conformers can be rationalised on the basis of overlaps between non-bonding and antibonding molecular orbitals.

Reaction of chloromethyliso(thio)cyanato(thio)phosphonates(-phosphinates) with phenol, ethanol, and thiols

Khailova,Bagautdinova,Shaimardanova,Krepysheva,Pudovik,Chmutova,Azancheev,Musin,Pudovik

, p. 1335 - 1340 (2007/10/03)

(Chloromethyl)isocyanatophosphonates(-phosphinates) take up phenol to form carbamates whose β-cleavage gives rise to phenyl (chloromethyl) phosphonates(-phosphinates). (Chloromethyl)(thio)phosphinic-(phosphonic) isothiocyanates react with phenol at 20°C in the absence of catalyst to afford phenyl phosphinates(-phosphonates). (Alkylsulfanyl)carbamates formed by addition of thiols to (chloromethyl)iso(thio)cyanastophosphonates(-phosphinates) under the action of an equimolar amount of triethylamine undergo cyclization into 1,3,4-oxaza(thiaza)phospholines. 2004 MAIK "Nauka/ Interperiodica".

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