Propetamphos - analytical standard , CAS No.31218-83-4

CAS: 31218-83-4 Cat. No.: P114179 Formule: C10H20NO4PS Poids moléculaire: 281.31 Beilstein Registry Number: 1979853 Numéro CE: 250-517-2
DISPONIBLE À COMMANDE
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
SAN 52139 | Sandoz 52139 | Tox21_300863 | W-110796 | E-Propetamphos | isopropyl (E)-3-(((ethylamino)(methoxy)phosphorothioyl)oxy)but-2-enoate | O-(1-Isopropoxycarbonyl-1-propen-2-yl)-O-methyl N-ethyl-phosphoramidothionate | DTXCID5012470 | NCGC00163952-02
Storage
Store at 2-8°C
Shipped In
Wet ice
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Size
Allemagne (EU)
USA*
Price
Qty
25mg
P114179-25mg
Sur commande · 8–12 semaines
150,03€
100mg
P114179-100mg
—
1 En stock

459,81€

596,05€
Enregistrer 136,24 € (22.86%)
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Why this grade

analytical standard Étalon d'analyse for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
SAN 52139 | Sandoz 52139 | Tox21_300863 | W-110796 | E-Propetamphos | isopropyl (E)-3-(((ethylamino)(methoxy)phosphorothioyl)oxy)but-2-enoate | O-(1-Isopropoxycarbonyl-1-propen-2-yl)-O-methyl N-ethyl-phosphoramidothionate | DTXCID5012470 | NCGC00163952-02
Spécifications et pureté
analytical standard
Conditions de stockage de stockage
Store at 2-8°C
Expédié en
Wet ice
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Grade
Étalon d'analyse
Noms et identifiants
Pubchem Sid508816286
Sourires canoniquesCCNP(=S)(OC)OC(=CC(=O)OC(C)C)C
IUPAC Namepropan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate
InChIKeyBZNDWPRGXNILMS-VQHVLOKHSA-N
INCHI1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+
Isomères SMILES CCNP(=S)(OC)O/C(=C/C(=O)OC(C)C)/C
WGK Allemagne 3
RTECS GQ4750000
Numéro ONU 3018
Groupe d'emballage I
Poids moléculaire 281.31
Beilstein 1979853
Reaxy-Rn 2280373
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2280373&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClasseFatty Acyls
SubclassFatty acid esters
Intermediate Tree Nodes Not available
Direct ParentFatty acid esters
Alternative Parents Thiophosphoric acid esters  Enoate esters  Monocarboxylic acids and derivatives  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty acid ester - Thiophosphoric acid ester - Organic thiophosphoric acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors Phosphoramido insecticides
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
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Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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.

1 results found

Lot NumberCertificate TypeDateArticle
C23161319Certificate of AnalysisSep 03, 2026 P114179
Propriétés chimiques et physiques
Indice de réfraction1.495
Point d'ébullition (°C)87-89°C
Point de fusion (°C)87-89°C
Poids moléculaire281.310 g/mol
XLogP32.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass281.085 Da
Monoisotopic Mass281.085 Da
Topological Polar Surface Area88.900 Ų
Heavy Atom Count17
Formal Charge0
Complexity330.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculateurs de solution
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