Tebuconazole - analytical standard, ≥99% , CAS No.107534-96-3

Name: Tebuconazole - analytical standard, ≥99% , CAS No.107534-96-3
SKU: T110039
Availability: InStock

CAS: 107534-96-3 Cat. No.: T110039 Formula: C₁₆H₂₂ClN₃O Peso molecolare: 307.82 Numero EC: 403-640-2 PubChem CID: 86102

49 Citations COA

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Tebuconazole - analytical standard, ≥99% CAS No(107534-96-3) by Aladdin Scientific

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Disponibile su ordine

GRADE & PURITY Analytical standard ? ≥99%

Synonyms

1-(4-Chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)-3-pentanol # | (.+/-.)-.alpha.-[2-(4-Chlorophenyl)ethyl]-.alpha.-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol | BW-1263W94 | 1-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)-4,4-dimethyl-pe

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica Specifications Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Domande frequenti e articoli Citations of This Product Calcolatori di soluzioni Recensioni

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Why this grade

analytical standard, ≥99% Standard analitico 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.

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Literature proof

Cited in 49 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

Tebuconazole is a triazole fungicide used agriculturally to treat plant pathogenic fungi. It is listed as a potential carcinogen by the EPA.
A triazole fungicide showing potential carcinogenicity

Specifications

Sinonimi

Specifiche e purezza

analytical standard, ≥99%

Meccanismi biochimici e fisiologici

Triazole antifungal agent. Cytochrome P450 inhibitor (IC 50 values are 0.9 and 1.3 μM for CaCYP51 and HsCYP51 respectively). Shows endocrine-disrupting effects in vivo. Orally active.

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Standard analitico

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

528771875

Sorrisi canonici

CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O

IUPAC Name

1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

InChIKey

PXMNMQRDXWABCY-UHFFFAOYSA-N

INCHI

1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3

Isomeri SMILES

CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O

RTECS

XZ4803270

PubChem CID

86102

Peso molecolare

307.82

Reaxy-Rn

6686475

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.

View datasheet →

🔬 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
  - Classe Benzene and substituted derivatives
    - Subclass Phenylbutylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Phenylbutylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylbutylamines
Alternative Parents	Chlorobenzenes Aryl chlorides Triazoles Tertiary alcohols Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylbutylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Tertiary alcohol - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors	Conazole fungicides
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

Struttura 3D

Obiettivi associati (umani)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Lot Number	Certificate Type	Data	Oggetto
E2512386	Certificate of Analysis	Apr 27, 2025	T110039
I2311580	Certificate of Analysis	Sep 18, 2023	T110039
G2120344	Certificate of Analysis	Apr 18, 2023	T110039
A2113145	Certificate of Analysis	Nov 11, 2022	T110039

Solubilità	Soluble in water (36 mg/L).,
Punto di infiammabilità (°C)	>100°C
Punto di fusione (°C)	102.4°C
Peso molecolare	307.820 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	307.145 Da
Monoisotopic Mass	307.145 Da
Topological Polar Surface Area	50.900 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	326.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Tebuconazole - analytical standard, ≥99% , CAS No.107534-96-3

Storage & shipping

Quality documents

Literature proof

Panoramica

Specifications

Documentazione

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Recensioni dei clienti

📚 Citations by Application

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