QUINOXYFEN
- Iupac Name：5,7-dichloro-4-(4-fluorophenoxy)quinoline
- CAS No.: 124495-18-7
- Molecular Weight：308.13
- Modify Date.: 2022-10-27 21:03
- Introduction: Quinoxyfen is under development for the control of powderymildew in cereals and grapes.
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1. Names and Identifiers
- 1.1 Name
- QUINOXYFEN
- 1.2 Synonyms
(5,7-dichloro-4-quinolyl) (4-fluorophenyl) ether 5,7-Dichloro-4-(4-fluorophenoxy)quinoline 5,7-dichloro-4-quinolyl 4-fluorophenyl ether Atlas DE 795 FORTRESS(R) Legend Legend (fungicide) Legend Elios Quinoline, 5,7-dichloro-4-(4-fluorophenoxy)- Quinoxyfen 100mg [124495-18-7] Quintec Quintec 2SC T66 BNJ EOR DF& GG IG
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- 1.3 CAS No.
- 124495-18-7
- 1.4 CID
- 3391107
- 1.5 EINECS(EC#)
- 602-997-3
- 1.6 Molecular Formula
- C15H8Cl2FNO (isomer)
- 1.7 Inchi
- InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H
- 1.8 InChIkey
- WRPIRSINYZBGPK-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F
- 1.10 Isomers Smiles
- C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F
2. Properties
- 2.1 Density
- 1.430
- 2.1 Melting point
- 105-106°
- 2.1 Boiling point
- 423℃
- 2.1 Refractive index
- 1.648
- 2.1 Flash Point
- >100 °C
- 2.1 Precise Quality
- 306.99700
- 2.1 PSA
- 22.12000
- 2.1 logP
- 5.47300
- 2.1 Solubility
- 0.12 mg l-1 (20 °C)
- 2.2 Appearance
- liquid
- 2.3 Storage
- 0-6°C
- 2.4 Chemical Properties
- Off-White Solid
- 2.5 pKa
- 2.87±0.50(Predicted)
- 2.6 StorageTemp
- 0-6°C
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: A member of the class of quinolines carrying two chloro substituents at positions 5 and 7 together with a 4-fluorophenoxy substituent at position 4. A fungicide used mainly to control powdery mildew in cereals.
- 3.2 Environmental Fate
- The stability of quinoxyfen in the soil has been shownto vary depending on soil type and source. DT50 valuesobtained in the field varied from 5 to 454 days for arange of soil types. The strong adsorptive properties ofquinoxyfen reduce its soil dissipation rate, but result inno leaching potential of this fungicide into waterways orgroundwater. The primary metabolite formed in the soil is3-hydroxyquinoxyfen . A secondary soil metaboliteis 5,7-dichloro-4-hydroxyquinoline (DCHQ). DCHQ wasalso found not to leach, even in sandy soils. Under acidicaqueous conditions, DCHQ was the primary metabolitefound, and this was produced in greater quantities atacidic pHs. An additional metabolite was isolated fromboth water and the sediment in an aqueous clay loamsystem. Although not positively identified, it is suspectedto be 6-hydroxyquinoxyfen.A similar hydrolysis profile is observed in wateras in soil (3). The primary product produced underacidic conditions in the absence of light was DCHQ.However, in the presence of light, photolysis was greatlyincreased and dose dependent on the amount of sunlightreceived. The primary photolysis product was 2-chloro-10-fluoro[1]benzopyrano[2,3,4-de]quinoline (CFBPQ).
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- 3.3 Usage
- Quinoxyfen is under development for the control of powderymildew in cereals and grapes.
4. Safety and Handling
- 4.1 Hazard Codes
- Xi,N
- 4.1 Risk Statements
- 43-50/53
- 4.1 Safety Statements
- 24-37-46-60-61
- 4.1 Packing Group
- III
- 4.1 Hazard Class
- 9
- 4.1 RIDADR
- UN3077 9/PG 3
- 4.1 WGK Germany
- 3
- 4.1 RTECS
- VB4287500
- 4.1 Toxicity
- LD50 orally in rats: >5000 mg/kg; dermally in rabbits: >2000 mg/kg; by inhalation in rats: >3.38 mg/l (Longhurst)
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin sensitization, Category 1
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 | Warning |
| Hazard statement(s) | H317 May cause an allergic skin reaction H410 Very toxic to aquatic life with long lasting effects |
| Precautionary statement(s) | |
| Prevention | P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment. |
| Response | P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P391 Collect spillage. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
124495-18-7Total: 1 Synthesis Route
9. Other Information
- 9.0 Merck
- 14,8079
- 9.1 Chemical Properties
- Off-White Solid
- 9.2 Uses
- Agricultural fungicide.
- 9.3 Definition
- ChEBI: A member of the class of quinolines carrying two chloro substituents at positions 5 and 7 together with a 4-fluorophenoxy substituent at position 4. A fungicide used mainly to control powdery mildew in cereals.
10. Computational chemical data
- Molecular Weight: 308.13g/mol
- Molecular Formula: C15H8Cl2FNO
- Compound Is Canonicalized: True
- XLogP3-AA: 5.1
- Exact Mass: 306.9966974
- Monoisotopic Mass: 306.9966974
- Complexity: 325
- Rotatable Bond Count: 2
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 22.1
- Heavy Atom Count: 20
- Defined Atom Stereocenter Count: 0
- 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: AAADccByIQAGAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHwIAAAAADA7Bniw8xvIIFACgAzRnRACCiCAxJyAI2CA+bpgMJmLFs5uGOCjmwBnI6AeQwKAOBAAAAAKDAAAIAAAABQYAAAAAAAAAAA==
11. Question & Answer
-
Potassium carbonate dissolves in the water nothing further happens.
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