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Screening compounds

PyOxim

Also known as pyoxime, [Ethyl cyano(hydroxyimino)acetato-O2]tri-1-pyrrolidinylphosphonium hexafluorophosphate, (E)-(((1-Cyano-2-ethoxy-2-oxoethylidene)amino)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)

CAS 153433-21-7Formula C17H29F6N5O3P2Molar mass 527.39 g/mol
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PyOxim chemical structure, C17H29F6N5O3P2, CAS 153433-21-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
153433-21-7
Formula
C17H29F6N5O3P2
Molar mass
527.39 g/mol
HS code
293399
Category
Screening compounds

What is PyOxim?

Plain description, key identifiers and synonyms

PyOxim is a chemical substance with the molecular formula C17H29F6N5O3P2 and a molar mass of 527.39 g/mol. Its CAS registry number is 153433-21-7. The IUPAC name is [(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-tripyrrolidin-1-ylphosphanium hexafluorophosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-tripyrrolidin-1-ylphosphanium hexafluorophosphate
CAS number
153433-21-7
Molecular formula
C17H29F6N5O3P2
MDL number
MFCD18643381
InChIKey
RDWDVLFMPFUBDV-PXMDEAMVSA-N
InChI
InChI=1S/C17H29N5O3P.F6P/c1-2-24-17(23)16(15-18)19-25-26(20-9-3-4-10-20,21-11-5-6-12-21)22-13-7-8-14-22;1-7(2,3,4,5)6/h2-14H2,1H3;/q+1;-1/b19-16+;
Canonical SMILES
CCOC(=O)C(C#N)=NO[P+](N1CCCC1)(N1CCCC1)N1CCCC1.F[P-](F)(F)(F)(F)F
Isomeric SMILES
CCOC(=O)/C(=N/O[P+](N1CCCC1)(N2CCCC2)N3CCCC3)/C#N.F[P-](F)(F)(F)(F)F

Synonyms

  • pyoxime
  • [Ethyl cyano(hydroxyimino)acetato-O2]tri-1-pyrrolidinylphosphonium hexafluorophosphate
  • (E)-(((1-Cyano-2-ethoxy-2-oxoethylidene)amino)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)
  • [(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-tripyrrolidin-1-ylphosphanium, hexafluorophosphate
  • (E)-(((1-Cyano-2-ethoxy-2-oxoethylidene)amino)oxy)tri(pyrrolidin-1-yl)phosphoniumhexafluorophosphate(V)
  • PyOxim, 98%
  • [(E)-(1-cyano-2-ethoxy-2-oxo-ethylidene)amino]oxy-tripyrrolidin-1-yl-phosphonium, hexafluorophosphate
  • (Ethyl cyano(hydroxyimino)acetato)-tri-(1-pyrrolidinyl)-phosphonium hexafluorophosphate
  • [cyano-(ethoxycarbonyl)methyleneaminooxy]tris(1-pyrrolidinyl)phosphonium hexafluorophosphate
  • (((1-cyano-2-ethoxy-2-oxoethylidene)amino)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)
  • (E)-[[(1-Cyano-2-ethoxy-2-oxoethylidene)amino]oxy]tri(1-pyrrolidinyl)phosphonium Hexafluorophosphate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
527.39 g/molcalc.
Exact mass
527.165 Dacalc.
LogP (octanol/water)
5.79calc.
Topological polar surface area
81.4 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
7calc.
Heavy atoms
33calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.82calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCN(P(N2CCCC2)N2CCCC2)C1

C1CCN(P(N2CCCC2)N2CCCC2)C1

3 rings, 16 atoms, the Tris(1-pyrrolidinyl)phosphine ring system.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

PyOxim suppliers

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Where suppliers are based

1 supplier in 1 country

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PyOxim price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code PyOxim is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for PyOxim is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about PyOxim, based on the data on this page

What is PyOxim?

PyOxim is a chemical substance with the molecular formula C17H29F6N5O3P2 and a molar mass of 527.39 g/mol. Its CAS registry number is 153433-21-7. The IUPAC name is [(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-tripyrrolidin-1-ylphosphanium hexafluorophosphate.

What is the CAS number of PyOxim?

The CAS registry number of PyOxim is 153433-21-7.

What is the molecular formula and weight of PyOxim?

The molecular formula of PyOxim is C17H29F6N5O3P2 and its molar mass is 527.39 g/mol.

What is PyOxim used for?

Known uses and roles of PyOxim include building blocks in research and laboratory and screening compounds in research and laboratory.

Is PyOxim hazardous?

No GHS hazard classification for PyOxim is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of PyOxim?

PyOxim is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy PyOxim?

CompoundList lists 1 supplier of PyOxim in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of PyOxim?

Suppliers quote PyOxim on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle PyOxim

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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