Flutriafol
- Iupac Name：1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
- CAS No.: 76674-21-0
- Molecular Weight：301.29
- Modify Date.: 2022-11-25 02:17
- Introduction: Flutriafol is a systemic fungicide of the triazole class. Flutriafol has broad spectrum fungicidal activity and is used to control effectively cereal powdery mildew, cloud disease, leaf spot disease and rust disease.
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1. Names and Identifiers
- 1.1 Name
- Flutriafol
- 1.2 Synonyms
(RS)-2,4&rsquo-difluoro-α-(1H-1,2,4-triazol-1-ylmethyl)benzhydryl alcohol (RS)-2,4-difluoro-α-(1H-1,2,4-triazol-1-ylmethyl)benzhydryl alcohol 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol 1-(2-Fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol 1H-1,2,4-Triazole-1-ethanol, .alpha.-(2-fluorophenyl)-.alpha.-(4-fluorophenyl)- 1H-1,2,4-Triazole-1-ethanol, α-(2-fluorophenyl)-α-(4-fluorophenyl)- alpha-(2-fluorophenyl)-alpha-(4-fluorophenyl)-1h-1,2,4-triazole-1-ethanol ATOUT(R) CINCIT(R) flutriafen FLUTRIAFOL SOLUTION 100 NG/MYL IN ACETON ITRILE, PESTANAL Flutriafol TC IMPACT SOPRA MFCD00144319 PP 450 rac-(1R)-1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-ol α-(2-fluorophenyl)-α-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanol
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- 1.3 CAS No.
- 76674-21-0
- 1.4 CID
- 91727
- 1.5 EINECS(EC#)
- 616-367-0
- 1.6 Molecular Formula
- C16H13F2N3O (isomer)
- 1.7 Inchi
- InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2
- 1.8 InChIkey
- JWUCHKBSVLQQCO-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F
- 1.10 Isomers Smiles
- C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F
2. Properties
- 2.1 Density
- 1.3015 (estimate)
- 2.1 Melting point
- 130°
- 2.1 Boiling point
- 506.5 oC at 760 mmHg
- 2.1 Refractive index
- 1.6
- 2.1 Flash Point
- 2 °C
- 2.1 Precise Quality
- 301.10300
- 2.1 PSA
- 50.94000
- 2.1 logP
- 2.49240
- 2.1 Solubility
- 130 mg l-1 (pH 7,20 °C)
- 2.2 Appearance
- solid
- 2.3 Chemical Properties
- solid
- 2.4 pKa
- 11.60±0.29(Predicted)
- 2.5 Water Solubility
- 130 mg l -1 (pH 7,20 °C)
- 2.6 Stability
- Stable. Incompatible with strong oxidizing agents.
- 2.7 StorageTemp
- 0-6°C
3. Use and Manufacturing
- 3.1 Usage
- Flutriafol is a systemic fungicide of the triazole class. Flutriafol has broad spectrum fungicidal activity and is used to control effectively cereal powdery mildew, cloud disease, leaf spot disease and rust disease.
4. Safety and Handling
- 4.1 Symbol
- GHS07
- 4.1 Hazard Codes
- Xn,F
- 4.1 Signal Word
- Warning
- 4.1 Risk Statements
- 22-36-20/21/22-11
- 4.1 Safety Statements
- 22-24/25-36-26
- 4.1 Hazard Declaration
- H302
- 4.1 RIDADR
- UN 1648 3/PG 2
- 4.1 Caution Statement
- P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P391, P501
- 4.1 WGK Germany
- 3
- 4.1 RTECS
- XZ4825000
- 4.1 Report
-
Reported in EPA TSCA Inventory.
- 4.2 Safety
-
Hazard Codes:?
Xn,
F
Risk Statements: 36-20/21/22-11?
R36: Irritating to eyes.?
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.?
R11: Highly flammable.
Safety Statements: 22-24/25-36-26?
S22: Do not breathe dust.?
S24/25: Avoid contact with skin and eyes.?
S36: Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1648 3/PG 2
RTECS: XZ4825000
A poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits toxic vapors of NOx and F?
- 4.3 Toxicity
- LD50 male, female rats (mg/kg): 1140, 1480 orally; rats, rabbits: >1000, >2000 percutaneously (Skidmore)
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
Acute toxicity - Dermal, Category 4
Acute toxicity - Inhalation, Category 4
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H302 Harmful if swallowed H312 Harmful in contact with skin H332 Harmful if inhaled H412 Harmful 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. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P273 Avoid release to the environment. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Other Information
- 7.0 Collision Cross Section
- 163.97 ?2 [M+H]+ [CCS Type: TW]|170.23 ?2 [M-H]-
- 7.1 Mobility
- 75.86 L/kg
- 7.2 Mesh
- Chemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc. (See all compounds classified as Fungicides, Industrial.)
- 7.3 Mesh Entry Terms
- (RS)-2,4'-difluoro-alpha-(1H-1,2,4-triazol-1-ylmethyl)benzhydryl alcohol
- 7.4 Use Classification
- Agrochemicals -> Fungicides
- 7.5 Merck
- 13,4240
- 7.6 BRN
- 8155287
- 7.7 Chemical Properties
- solid
- 7.8 Uses
- Flutriafol is a systemic fungicide of the triazole class. Flutriafol has broad spectrum fungicidal activity and is used to control effectively cereal powdery mildew, cloud disease, leaf spot disease a nd rust disease.
- 7.9 Uses
- Agricultural fungicide.
- 7.10 Uses
- Flutriafol is used to control a wide variety of leaf and ear diseases in cereals. It is also used in seed treatment formulations to control the major soil-borne and seed-borne diseases of cereals.
- 7.11 Metabolic pathway
- Flutriafol is stable to hydrolysis and to light and it is persistent in soils. In crops, the metabolites identified were derivatives of triazole.
- 7.12 Degradation
- Flutriafol, 1, is stable to hydrolysis at pH 5,7 and 9 in water at 50 °C over a period of 30 days in the dark.
[14C-friazole]Flutriafoaln d [14C-carbinol]flutriafol were applied at a rate equivalent to 94 g ai ha-1 to samples of dry sandy loam soil distributed as a thin layer on 10 cm diameter glass plates. Samples were exposed to natural sunlight for 30 days or to alternating periods of 'black light' and darkness for 7 days. Recovery was 60-47% of applied radioactivity after 7 days artificial illumination and 74-85% after exposure to natural sunlight. All degradation products accounted for ＜5 %of the total applied radioactivity (PSD, 1996).
8. Computational chemical data
- Molecular Weight: 301.29g/mol
- Molecular Formula: C16H13F2N3O
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 301.10266837
- Monoisotopic Mass: 301.10266837
- Complexity: 365
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 50.9
- Heavy Atom Count: 22
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccB7IYAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAICAAADETBmAw1EIYIEgCiAiBDJAASAAswgIAdyAAICIiKLiKAmRGEcAAswAMYmAeQwOAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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10. Realated Product Infomation
skype
1YR
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