Isazophos - analytical standard , CAS No.42509-80-8

CAS: 42509-80-8 Cat. No.: I114712 Formula: C9H17ClN3O3PS Peso molecolare: 313.74 Beilstein Registry Number: 8145294 Numero EC: 255-863-8
Disponibile su ordine
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
AI3-29128 | Isazofos [BSI:ISO] | O-(5-chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate | SCHEMBL121685 | XRHGWAGWAHHFLF-UHFFFAOYSA-N | HSDB 6684 | O-(5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethylphosphorothioate | NCGC00168
Storage
Room temperature
Shipped In
Normal
★
Size
Germania (EU)
USA*
Price
Qty
20mg
I114712-20mg
—
1 Disponibile

36,36€

42,43€
Salva 6,07 € (14.31%)
100mg
I114712-100mg
Su ordinazione · 8–12 settimane

143,96€

167,39€
Salva 23,43 € (14.00%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

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Storage & shipping

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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinonimi
AI3-29128 | Isazofos [BSI:ISO] | O-(5-chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethyl phosphorothioate | SCHEMBL121685 | XRHGWAGWAHHFLF-UHFFFAOYSA-N | HSDB 6684 | O-(5-Chloro-1-isopropyl-1H-1,2,4-triazol-3-yl) O,O-diethylphosphorothioate | NCGC00168
Specifiche e purezza
analytical standard
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Grado
Standard analitico
Nomi e identificatori
Pubchem Sid
Sorrisi canonici
CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C
IUPAC Name
(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
InChIKey
XRHGWAGWAHHFLF-UHFFFAOYSA-N
INCHI
1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3
Isomeri SMILES
CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C
WGK Germania
3
RTECS
TE7760000
Numero UN
3278
Peso molecolare
313.74
Beilstein
8145294
Reaxy-Rn
8145294
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8145294&ln=

Documentazione

📋 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

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClasseOrganic thiophosphoric acids and derivatives
SubclassThiophosphoric acid esters
Intermediate Tree Nodes Not available
Direct ParentAryl thiophosphates
Alternative Parents Thiophosphate triesters  Aryl chlorides  Triazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aryl thiophosphate - Thiophosphate triester - Aryl chloride - Aryl halide - Azole - 1,2,4-triazole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as aryl thiophosphates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an aryl group.
External Descriptors Organophosphorus insecticides
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AHR Tclin Aryl hydrocarbon receptor (1071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
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.

3 results found

Lot NumberCertificate TypeDataOggetto
L2103520Certificate of AnalysisJun 09, 2025 I114712
H2416031Certificate of AnalysisAug 29, 2024 I114712
H2416176Certificate of AnalysisJun 22, 2024 I114712
Proprietà chimiche e fisiche
Punto di ebollizione (°C)100°C
Peso molecolare313.740 g/mol
XLogP33.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass313.042 Da
Monoisotopic Mass313.042 Da
Topological Polar Surface Area90.500 Ų
Heavy Atom Count18
Formal Charge0
Complexity301.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

📚 Citations by Application

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