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4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole - 97%, high purity , CAS No.153233-91-1

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 153233-91-1
Molecular Weight: 359.42
Beilstein Registry Number: 8930214
EC Number: 604-891-2
MDL number: MFCD07363987
PubChem CID: 153974

In stock

Item Number

D635650

Grouped product items
SKU	Size	Availability	Price
D635650-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
D635650-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$129.90
D635650-25g	25g	1	$389.90
D635650-100g	100g	1	$939.90

View related series

Pesticide Research Reagents (2)

Basic Description

Synonyms	ETOXAZOLE [MI] \| TetraSan \| YI 5301 \| HSDB 7277 \| 4-(4-(tert-Butyl)-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydrooxazole \| BENZALDEHYDE, M-METHOXY- \| YI-5301 \| NCGC00163813-03 \| Etoxazole [ISO] \| HY-W059342 \| IXSZQYVWNJNRAL-UHFFFAOYSA-N \| CAS-591-35-
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Etoxazole is an organofluorine pesticide and an alternative for carbamates, organochlorines and other miticides. It is a commonly used acaricide,for flowers, fruits, vegetables, tea, cotton etc.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Phenoxy compounds Phenol ethers Fluorobenzenes Alkyl aryl ethers Aryl fluorides Oxazolines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpropane - Phenol ether - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl halide - Aryl fluoride - Oxazoline - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Ether - Organopnictogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors	Acaricides
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(Human)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

AR Tclin Androgen Receptor (11781 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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Associated Targets(non-human)

Myzus persicae (1112 Activities)

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

Tetranychus urticae (2600 Activities)

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Plutella xylostella (1838 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

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

Panonychus ulmi (60 Activities)

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Bombus terrestris (160 Activities)

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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	4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
INCHI	InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3
InChIKey	IXSZQYVWNJNRAL-UHFFFAOYSA-N
Smiles	CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F
Isomeric SMILES	CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F
WGK Germany	3
RTECS	RP6795100
Alternate CAS	153233-91-1
PubChem CID	153974
MeSH Entry Terms	2-(2,6-Difluorophenyl)-4-(4-(1,1-dimethylethyl)-2-ethoxyphenyl)-4,5-dihydrooxazole;etoxazole
Molecular Weight	359.42
Beilstein	8930214

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
I2419350	Certificate of Analysis	Jul 22, 2024	D635650
I2419347	Certificate of Analysis	Jul 22, 2024	D635650
I2419300	Certificate of Analysis	Jul 22, 2024	D635650
I2419301	Certificate of Analysis	Jul 22, 2024	D635650
I2419302	Certificate of Analysis	Jul 22, 2024	D635650
I2419346	Certificate of Analysis	Jul 22, 2024	D635650
I2419348	Certificate of Analysis	Jul 22, 2024	D635650
I2419349	Certificate of Analysis	Jul 22, 2024	D635650

Chemical and Physical Properties

Sensitivity	Air and heat sensitive
Flash Point(°F)	854.6 °F
Flash Point(°C)	457 °C
Molecular Weight	359.400 g/mol
XLogP3	5.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	359.17 Da
Monoisotopic Mass	359.17 Da
Topological Polar Surface Area	30.800 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	495.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xian-Xian Ji, Yu-Long Liu, Xin-Yue Chang, Rui-Long Li, Fei Ye, Liu Yang, Ying Fu. (2023) An electrochemical sensor derived from Cu-BTB MOF for the efficient detection of diflubenzuron in food and environmental samples. FOOD CHEMISTRY, 428 (136802).

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4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole - 97%, high purity , CAS No.153233-91-1

Basic Description

Taxonomic Classification

Associated Targets(Human)

Associated Targets(non-human)

Mechanisms of Action

Names and Identifiers

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

Chemical and Physical Properties

Citations of This Product

Solution Calculators

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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