3D Mol Similar

Quizalofop-P

Iupac Name：(2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid

CAS No.: 94051-08-8

Molecular Weight：344.751

Modify Date.: 2022-11-22 20:54

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1. Names and Identifiers

1.1 Name: Quizalofop-P
1.2 Synonyms: (2R)-2-[4-[(6-Chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid (2R)-2-{4-[(6-Chloro-2-quinoxalinyl)oxy]phenoxy}propanoic acid (R)-(+)-Quizalofop (R)-2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid (R)-2-(4-((6-chloroquinoxalin-2-yl)oxy)phenoxy)propanoic acid DPX-Y 6202-31 Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, (2R)- Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, (R)- Propaquizafop free acid QUIZALOFOP-P Quizalofop-P (free acid) R-Quizalofop

1.3 CAS No.: 94051-08-8

1.4 CID: 5484172

1.5 EINECS(EC#): 618-997-1

1.6 Molecular Formula: C17H13ClN2O4 (isomer)

1.7 Inchi: InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1

1.8 InChkey: ABOOPXYCKNFDNJ-SNVBAGLBSA-N

1.9 Canonical Smiles: CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

1.10 Isomers Smiles: C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl

2. Properties

2.1 Density: 1.409 g/cm³

2.1 Boiling point: 533.3 °C at 760 mmHg

2.1 Refractive index: 1.648

2.1 Flash Point: 276.3 °C

2.1 Precise Quality: 344.05600

2.1 PSA: 81.54000

2.1 logP: 3.92740

2.1 Solubility: Soluble in water 0.4mg/L at 20º

2.2 Appearance: White to brown powder

2.3 pKa: 3.11±0.10(Predicted)

2.4 Water Solubility: Soluble in water 0.4mg/L at 20º

3. Use and Manufacturing

3.1 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 23 companies from 1 notifications to the ECHA C&L Inventory.

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P264, P270, P301+P310, P321, P330, P405, and P501

4. Safety and Handling

4.1 Hazard Codes: T

4.1 Risk Statements: 25

4.1 Safety Statements: 45

4.1 Hazard Declaration: H301

4.1 RIDADR: UN 2811 6.1 / PGIII

4.1 Caution Statement: P301 + P310

4.1 WGK Germany: 3

4.1 Specification

The CAS register number of Quizalofop-P is 94051-08-8. It also can be called as (R)-2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)propanoic acid and the IUPAC name about this chemical is (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid. The molecular formula about this chemical is C₁₇H₁₃ClN₂O₄and molecular weight is 344.75. Classification code about this chemical is Pesticide.

Physical properties about Quizalofop-P are: (1)ACD/LogP: 3.06; (2)ACD/LogD (pH 5.5): 0.72; (3)ACD/LogD (pH 7.4): -0.57; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.04; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 70.54Å²; (12)Index of Refraction: 1.648; (13)Molar Refractivity: 89.08 cm³; (14)Molar Volume: 244.5 cm³; (15)Polarizability: 35.31x10^-24cm³; (16)Surface Tension: 60.4 dyne/cm; (17)Enthalpy of Vaporization: 85.18 kJ/mol; (18)Boiling Point: 533.3 °C at 760 mmHg; (19)Vapour Pressure: 3.34E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](Oc3ccc(Oc1nc2ccc(Cl)cc2nc1)cc3)C
(2)InChI: InChI=1/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1
(3)InChIKey: ABOOPXYCKNFDNJ-SNVBAGLBBD
(4)Std. InChI: InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1
(5)Std. InChIKey: ABOOPXYCKNFDNJ-SNVBAGLBSA-N

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H301 Toxic if swallowed
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P330 Rinse mouth.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Computational chemical data

Molecular Weight: 344.751g/mol
Molecular Formula: C₁₇H₁₃ClN₂O₄
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 344.0563846
Monoisotopic Mass: 344.0563846
Complexity: 431
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 6
Topological Polar Surface Area: 81.5
Heavy Atom Count: 24
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccB7OAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHgIACAAACB7hliY+zrIIFgCoATT3TAaCiCQxdyAI2CF/fpgPZuLFs5+feCjkwBHb6AfQQAAAAQBAAAIAACACAIAABAAAQAAAAAAAAA==

7. Recommended Suppliers

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Wuhan Fortuna Chemical Co., Ltd. Diamond member

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Quizalofop-P

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2023/06/05

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Jilin Tely Imp & Exp Co., Ltd Audited Suppliers

Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
Tel:86-431-81915458

Quizalofop-P / high quality /Best price/In stock

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/milliliter
Time: 2023/05/17

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Hebei Weihang Biotechnology Co., Ltd Audited Suppliers

Products:herbicides, insecticides, chemical additives,fine chemicals, pigments, pesticide intermediates, veterinary drug intermediates, food additives, feed additives, organic intermediates, medical equipment
Tel:+86-0310-+8613393105788

quizalofop-p-ethyl.herbicides, pesticides.