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

CAS: 31218-83-4 Cat. No.: P114179 Molecular Weight: 281.31 Beilstein Registry Number: 1979853 EC Number: 250-517-2
AVAILABLE TO ORDER
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
Status
Price
Qty
25mg
P114179-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$172.90
100mg
P114179-100mg
1

$529.90

$686.90
Save $157.00 (22.86%)
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice 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.

📚

Literature proof

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

Specifications

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
Specifications & Purity
analytical standard
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Analytical standard
Names and Identifiers
Canonical SmilesCCNP(=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+
Isomeric SMILES CCNP(=S)(OC)O/C(=C/C(=O)OC(C)C)/C
WGK Germany 3
RTECS GQ4750000
UN Number 3018
Packing Group I
Molecular Weight 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.

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✅ 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

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassFatty 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
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
Associated Targets(non-human)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
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.

1 results found

Lot NumberCertificate TypeDateItem
C23161319Certificate of AnalysisDec 10, 2024 P114179
Chemical and Physical Properties
Refractive Index1.495
Boil Point(°C)87-89°C
Melt Point(°C)87-89°C
Molecular Weight281.310 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
Solution Calculators
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