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Home> Encyclopedia >Fungicide>Pharmaceutical Intermediates>Agrochemicals & Pesticides
Flutriafol structure
Flutriafol structure

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. View more+
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:?HarmfulXn,FlammableF
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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