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3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one - 98%, high purity , CAS No.165534-43-0

1 Citations

COA

Grade & Purity:

≥98%

Cas Number: 165534-43-0
Molecular Weight: 299.22
MDL number: MFCD01236967
PubChem CID: 4293995

In stock

Item Number

D100524

Grouped product items
SKU	Size	Availability	Price
D100524-5g	5g	3	$50.90
D100524-25g	25g	3	$161.90
D100524-100g	100g	3	$581.90
D100524-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,616.90

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Element classified compounds (2014) Phosphorus compounds (460)

Basic Description

Synonyms	DEPBT \| 3-diethoxyphosphoryloxy-1,2,3-benzotriazin-4(3h)-one \| 3-(Diethoxy-phosphoryloxy)-1,2,3-benzo[d]triazin-4(3H)-one \| C11H14N3O5P \| 3-(diethoxyphosphoryloxy)-1,2,3-benzo-triazin-4(3H)-one \| 3-(diethoxyphosphoryloxy)-1,2,3-benzotriazin-4-(3h)-one \| 3
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzo-1,2,3-triazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzo-1,2,3-triazines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzo-1,2,3-triazines
Alternative Parents	Triazinones Dialkyl phosphates Benzenoids 1,2,3-triazines Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzo-1,2,3-triazine - Triazinone - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Triazine - Alkyl phosphate - Benzenoid - 1,2,3-triazine - Heteroaromatic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzo-1,2,3-triazines. These are organic compounds containing a 1,2,3-triazine ring fused to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	diethyl (4-oxo-1,2,3-benzotriazin-3-yl) phosphate
INCHI	InChI=1S/C11H14N3O5P/c1-3-17-20(16,18-4-2)19-14-11(15)9-7-5-6-8-10(9)12-13-14/h5-8H,3-4H2,1-2H3
InChIKey	AJDPNPAGZMZOMN-UHFFFAOYSA-N
Smiles	CCOP(=O)(OCC)ON1C(=O)C2=CC=CC=C2N=N1
Isomeric SMILES	CCOP(=O)(OCC)ON1C(=O)C2=CC=CC=C2N=N1
WGK Germany	3
Molecular Weight	299.22
Reaxy-Rn	7489262
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7489262&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
C2014093	Certificate of Analysis	Jan 05, 2024	D100524
I1905063	Certificate of Analysis	Jun 08, 2023	D100524
I2224126	Certificate of Analysis	Jul 19, 2022	D100524
I2224149	Certificate of Analysis	Jul 19, 2022	D100524
C2218136	Certificate of Analysis	Feb 16, 2022	D100524
C2218180	Certificate of Analysis	Feb 16, 2022	D100524
C2218488	Certificate of Analysis	Feb 16, 2022	D100524
C2218246	Certificate of Analysis	Feb 16, 2022	D100524

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Melt Point(°C)	71-76℃
Molecular Weight	299.220 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	299.067 Da
Monoisotopic Mass	299.067 Da
Topological Polar Surface Area	89.800 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	420.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

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