Tebuconazole - ≥97% , CAS No.107534-96-3

Name: Tebuconazole - ≥97% , CAS No.107534-96-3
SKU: T140395
Availability: InStock

CAS: 107534-96-3 Cat. No.: T140395 Formula: C₁₆H₂₂ClN₃O Molecular Weight: 307.82 EC Number: 403-640-2 PubChem CID: 86102

49 Citations COA

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Tebuconazole - ≥97% CAS No(107534-96-3) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

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

Room temperature

Shipped In

Normal

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties FAQs and Articles Citations of This Product Solution Calculators Reviews

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Why this grade

≥97% 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 49 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

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

Synonyms

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid	504755837
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755837
Canonical Smiles	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
Isomeric SMILES	CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O
RTECS	XZ4803270
PubChem CID	86102
Molecular Weight	307.82
Reaxy-Rn	6686475

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylbutylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
Description	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

3D Structure

Associated Targets(Human)

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	Date	Item
D2608039	Certificate of Analysis	Apr 15, 2026	T140395
F2210504	Certificate of Analysis	Mar 16, 2026	T140395
F2210505	Certificate of Analysis	Mar 16, 2026	T140395
F2210761	Certificate of Analysis	Mar 16, 2026	T140395
F2210762	Certificate of Analysis	Mar 16, 2026	T140395
D1824049	Certificate of Analysis	Nov 10, 2025	T140395
H1521092	Certificate of Analysis	Apr 13, 2023	T140395
A2331350	Certificate of Analysis	Feb 03, 2023	T140395
F2428067	Certificate of Analysis	Feb 03, 2023	T140395
A2516030	Certificate of Analysis	Jun 17, 2022	T140395
I2512037	Certificate of Analysis	Jun 17, 2022	T140395

Solubility	Soluble in water (36 mg/L).,
x_flash_point_drop_centigrade	>100°C
x_melt_point_char	102.4°C
Molecular Weight	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 - ≥97% , CAS No.107534-96-3

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

📚 Citations by Application

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