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Quizalofop-p-ethyl(CAS No. 100646-51-3)

Quizalofop-p-ethyl C19H17ClN2O4 (cas 100646-51-3) Molecular Structure

100646-51-3 Structure

Identification and Related Records

【Name】
Quizalofop-p-ethyl
【Iupac name】
ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
【CAS Registry number】
100646-51-3
【Synonyms】
Ethyl (R)-2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)propanoate
Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-, ethyl ester, (R)-
Ethyl (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate
NCI-861094
DPX-Y6202-31
QPE
Propanoic acid,2-[4-[(6-chloro-2-quinoxalinyl) oxy]phenoxy]-,ethyl ester,(2R)-
Assure II
quizalofop P-Ethyl
Quizalofop-p-ethyl 95%TC
【Molecular Formula】
C19H17ClN2O4 (Products with the same molecular formula)
【Molecular Weight】
372.8
【Inchi】
InChI=1/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1
【InChIKey】
OSUHJPCHFDQAIT-UHFFFAOYSA-N
【Canonical SMILES】
CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl
【Isomers smiles】
CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl
【MOL File】
100646-51-3.mol

Chemical and Physical Properties

【Appearance】
White powder crystal
【Density】
1.301g/cm3
【Melting Point】
76-77℃
【Boiling Point】
503.9°Cat760mmHg
【Vapour】
2.78E-10mmHg at 25°C
【Refractive Index】
1.604
【Flash Point】
258.6°C
【Water】
0.04 g/100 mL
【Solubilities】
0.04 g/100 mL
【Color/Form】
Colorless crystals
【Computed Properties】
Molecular Weight:372.80228 [g/mol]
Molecular Formula:C19H17ClN2O4
XLogP3:4.3
H-Bond Donor:0
H-Bond Acceptor:6
Rotatable Bond Count:7
Exact Mass:372.087685
MonoIsotopic Mass:372.087685
Topological Polar Surface Area:70.5
Heavy Atom Count:26
Formal Charge:0
Complexity:459
Isotope Atom Count:0
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Ring Count:3
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:188

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
R21/22
【Safety Statements 】
36/37
【Transport】
UN3077 9/PG 3
【Formulations/Preparations】
USEPA/OPP Pesticide Code 128711; Trade Names: Targa, Assure, DPX-Y6202, INY-6202, NC 302, NCI-96683, FBC-32197, EXP-3864, Pilot.
Emulsifiable concentrate, suspension concentrate
【Octanol/Water Partition Coefficient】
log Kow= 4.28

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

4-Chloro-o-phenylenediamine + glyoxylic acid + 2-(4-chlorophenoxy)propionic acid + ethanol (condensation/ether formation/esterification)

Biomedical Effects and Toxicity

【Biomedical Effects and Toxicity】
In mammals, following oral admin, the parent is rapidly metabolized; >90% of the dose is eliminated in the urine within 3 days.
Selective systemic herbicide, absorbed by the leaves, with translocation throughout the plant, moving in both the xylem & phloem. & accumulation in the meristematic tissue.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
A base-catalyzed second-order hydrolysis rate constant of 0.12 L/mole-sec(SRC) was estimated using a structure estimation method(1); this corresponds to half-lives of 1.8 years and 67 days at pH values of 7 and 8, respectively(1).

Supplier Location

Top Suppliers

Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-87396430
Changzhou Extraordinary Pharmatech co.,LTD
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-0-15195055733
Jinan Haohua Industry Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-531-58773055
FUGU COUNTY RUILONG BUSINESS CO., LTD.
Country:ChinaChina
Business Type:Trading Company
Telephone:0086-10-62800266
Shanghai UCHEM Inc.
Country:ChinaChina
Business Type:Manufacturer
Telephone:086-021-31615209
yancheng zhaoyangchemical products co.,ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-515-86025155
Zouping Mingxing Chemical Co.,Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-135-15431451
shanghai wansheng biotechnology limited
Country:ChinaChina
Business Type:Trading Company
Telephone:86-21-31200601
Nanjing Qida International Trading Co., Ltd
Country:ChinaChina
Telephone:+86-(25)-8646-0031

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