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Toltrazuril - analytical standard, high purity , CAS No.69004-03-1

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Toltrazuril - analytical standard, high purity , CAS No.69004-03-1

2 Citations

COA

Grade & Purity:

analytical standard

Cas Number: 69004-03-1
Molecular Weight: 425.38
MDL number: MFCD00867201
PubChem CID: 68591

In stock

Item Number

T114357

Grouped product items
SKU	Size	Availability	Price
T114357-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$103.90
T114357-500mg	500mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$464.90
T114357-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$834.90
T114357-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,751.90

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Basic Description

Synonyms	Toltrazuril; \| Toltrazurilum (Latin) \| 1-Methyl-3-(4-(p-((trifluoromethyl)thio)phenoxy)-m-tolyl)-s-triazine-2,4,6(1H,3H,5H)-trione \| NCGC00263905-04 \| TOLTRAZURIL [EMA EPAR VETERINARY] \| DTXCID10141554 \| DTXSID90219063 \| TOLTRAZURIL (MART.) \| BAY-VI-9142
Specifications & Purity	analytical standard
Legal Information	VETRANAL is a trademark of Sigma-Aldrich Co. LLC
Shipped In	Normal
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	Diarylethers Thiophenol ethers Phenoxy compounds Phenol ethers Triazinones Toluenes Alkylarylthioethers 1,3,5-triazines Heteroaromatic compounds Ureas Trihalomethanes Sulfenyl compounds Azacyclic compounds Organofluorides Organonitrogen compounds Alkyl fluorides Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Phenol ether - Thiophenol ether - Phenoxy compound - Aryl thioether - Toluene - Triazinone - Alkylarylthioether - Triazine - 1,3,5-triazine - Heteroaromatic compound - Trihalomethane - Urea - Ether - Thioether - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Halomethane - Organic oxygen compound - Alkyl fluoride - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Alkyl halide - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
External Descriptors	Not available
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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Toxoplasma gondii (4585 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione
INCHI	InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)29-18(19,20)21/h3-9H,1-2H3,(H,22,25,26)
InChIKey	OCINXEZVIIVXFU-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)SC(F)(F)F
Isomeric SMILES	CC1=C(C=CC(=C1)N2C(=O)NC(=O)N(C2=O)C)OC3=CC=C(C=C3)SC(F)(F)F
PubChem CID	68591
UN Number	3077
Molecular Weight	425.38

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.

5 results found

Lot Number	Certificate Type	Date	Item
J2231030	Certificate of Analysis	Nov 17, 2022	T114357
J2231028	Certificate of Analysis	Nov 17, 2022	T114357
J2231029	Certificate of Analysis	Nov 17, 2022	T114357
J2229589	Certificate of Analysis	Nov 17, 2022	T114357
D1410041	Certificate of Analysis	Feb 22, 2022	T114357

Chemical and Physical Properties

Molecular Weight	425.400 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	425.066 Da
Monoisotopic Mass	425.066 Da
Topological Polar Surface Area	104.000 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	655.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Di Shao, Shuyun Bi, Rui Zhao, Xiaoyue Sun, Xu Li, Jingfu Yu. (2020) Selective determination of dinitolmide and toltrazuril by surface-enhanced raman spectroscopy (SERS) using AgNPs as substrate. SENSORS AND ACTUATORS B-CHEMICAL, 307 (127644).
2. Yüfang Wu, Jiaqin Wu, Long Cheng, Jiachao Wang. (2018) Solubility of Toltrazuril and the Effect of a Cosolvent. JOURNAL OF CHEMICAL AND ENGINEERING DATA, 63 (12): (4468–4474).

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