analytical standard, 10ug/ml in petroleum ether 分析用標準物質 for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 60 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

同義語

仕様と純度

analytical standard, 10ug/ml in petroleum ether

保管条件

Protected from light,Room temperature

入荷

Normal

等級

分析用標準物質

名前と識別子

パブケム・シド

528775766

カノニカル・スマイル

CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1

IUPAC Name

(Z)-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide

InChIKey

ATROHALUCMTWTB-WYMLVPIESA-N

INCHI

1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+

異性体SMILES

CCOP(=S)(OCC)O/N=C(\C#N)/C1=CC=CC=C1

WGKドイツ

RTECS

MD4740000

UN番号

2810

分子量

298.30

Reaxy-Rn

2995646

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2995646&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 分類 Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
分類	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Thiophosphoric acid esters Nitriles Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Organic thiophosphoric acid or derivatives - Thiophosphoric acid ester - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
説明	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors	Organophosphorus insecticides
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

3 D構造

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レビュー

📚 Citations by Application

Extraction & workup solvent21

Other applications33

Electrochemistry & battery electrolyte10

Organic synthesis — reaction medium16

Spectroscopy sample preparation11

Drug / compound screening8

Cytotoxicity screening3

Chromatography (HPLC / GC / TLC)6

Cell viability1

Nanoparticle / material biocompatibility1

View all 60 citations →

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

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Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

感度	Light sensitive.
沸点（°C）	102°C
分子量	298.300 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	298.054 Da
Monoisotopic Mass	298.054 Da
Topological Polar Surface Area	95.900 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	389.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

Phoxim solution - analytical standard, 10ug/ml in petroleum ether , CAS No.14816-18-3