3D Mol Similar

Quizalofop-p-tefuryl

: Iupac Name：oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate; CAS No.: 119738-06-6; Molecular Weight：428.869; Modify Date.: 2022-11-09 11:29

Request For Quotation

1. Names and Identifiers

: 1.1 Name; Quizalofop-p-tefuryl; 1.2 Synonyms; (+/-)-tetrahydrofurfuryl-(r)-2-[4-(6-chloroquinoxalin-2-yloxy)phenyloxy]propionate (2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid [(2S)-2-oxolanyl]methyl ester (Tetrahydro-2-furanyl)methyl2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)propanoate 2-[4-[(6-CHLORO-2-QUINOXALINYL)OXY]PHENOXY]PROPANOIC ACIDTETRAHYDRO-2-FURANYL)METHYL ESTER oxolan-2-ylmethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, (tetrahydro-2-furanyl)methyl ester Propanoic acid,2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, (tetrahydro-2-furanyl)methylester Quizalofop-tefuryl quizalofp-p-tefuryl (bsi, draft e-iso) UBI 1956 ubi c4874; View all

1.3 CAS No.: 119738-06-6

1.4 CID: 86175

1.5 EINECS(EC#): 414-200-4; 601-628-3

1.6 Molecular Formula: C22H21ClN2O5 (isomer)

1.7 Inchi: InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3

1.8 InChIkey: BBKDWPHJZANJGB-UHFFFAOYSA-N

1.9 Canonical Smiles: CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl

1.10 Isomers Smiles: CC(C(=O)OCC1CCCO1)OC2=CC=C(C=C2)OC3=CN=C4C=C(C=CC4=N3)Cl

2. Properties

2.1 Density: 1.316

2.1 Melting point: 44-49°C

2.1 Boiling point: 579.6 °C at 760 mmHg

2.1 Refractive index: 1.603

2.1 Flash Point: 304.3 °C

2.1 Precise Quality: 428.11400

2.1 PSA: 79.77000

2.1 logP: 4.56500

2.1 Appearance: thick yellow liquid with special ester odor

2.2 Storage: 0-6°C

2.3 pKa: -1.41±0.48(Predicted)

2.4 StorageTemp: 0-6°C

3. Safety and Handling

3.1 Hazard Codes: N,T

3.1 Risk Statements: R61

3.1 Safety Statements: 53-45-60-61

3.1 Safety: Hazard Codes: T,N
Risk Statements: 61-22-48/22-62-68-50/53
R61:May cause harm to the unborn child.
R22:Harmful if swallowed.
R48/22:Harmful: danger of serious damage to health by prolonged exposure if swallowed.
R62:Risk of impaired fertility.
R68:Possible risk of irreversible effects.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 53-45-60-61
S53:Avoid exposure - obtain special instructions before use.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.; View all

3.2 Specification: Quizalofop-p-tefuryl (CAS No.119738-06-6), its synonyms are (+/-)-Tetrahydrofurfuryl-(R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenyloxy]propionate ; Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, (tetrahydro-2-furanyl)methyl ester, (2R)- ; Tetrahydro-2-furanylmethyl (2R)-2-{4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy}propanoate ; Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, (tetrahydro-2-furanyl)methyl ester ; Quizalofop-p-tefuryl solution .

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Germ cell mutagenicity, Category 2

Reproductive toxicity, Category 1B

Specific target organ toxicity \u2013 repeated exposure, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302 Harmful if swallowed H341 Suspected of causing genetic defects H360 May damage fertility or the unborn child H373 May cause damage to organs through prolonged or repeated exposure H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P273 Avoid release to the environment.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P308+P313 IF exposed or concerned: Get medical advice/ attention. P314 Get medical advice/attention if you feel unwell. P391 Collect spillage.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. Synthesis Route

119738-06-6Total: 1 Synthesis Route

72641-13-5

76578-12-6 14 Suppliers

119738-06-6 57 Suppliers

Literatures:
US6136977 A1, ;
Yield: null

6. Precursor and Product

precursor:

72641-13-5

76578-12-6

7. Computational chemical data

Molecular Weight: 428.869g/mol
Molecular Formula: C₂₂H₂₁ClN₂O₅
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 428.1138995
Monoisotopic Mass: 428.1138995
Complexity: 560
Rotatable Bond Count: 8
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 7
Topological Polar Surface Area: 79.8
Heavy Atom Count: 30
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 2
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB7OAAEAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAACx9AAAHgIAAAAACB7hliY+zrIIFACoATT3TAaCiCQxdyAI2CF/fpgPZuLFs5+fOCjkwBHa6AfQYAgAAQBAAAIAACACAIAABAAAQAAAAAAAAA==