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Basic information
- CAS
174514-07-9- Standard SMILES
CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl- InChIKey
FKLQIONHGSFYJY-UHFFFAOYSA-N- Molecular formula
- C15H12BrClF4N2O2
- Average molar mass
- 443.62 g/mol
- Monoisotopic mass
- 441.97068028
Overview
structure in first source
Names & identifiers
- Preferred name
- Fluazolate
- IUPAC
- propan-2-yl 5-[4-bromo-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-chloro-4-fluorobenzoate
- English name
- Fluazolate
- Molecular formula
- C15H12BrClF4N2O2
- Molecular weight
- 443.62
Names & synonyms
Fluazolate174514-07-9KJX9P1E61KDTXSID7057999RefChem:140792DTXCID5031767Isopropazolisopropyl 5-(4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-2-chloro-4-fluorobenzoateIsopropazol; JV-485;MON 48500Isopropyl 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoateUNII-KJX9P1E61KFluazolate [ISO:BSI]
Show more names
Twin-AgroFluazolate 100 μg/mL in Acetonitrile5-[4-BroMo-1-Methyl-5-(trifluoroMethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-5-[4-Bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro- benzoic Acid 1-Methylethyl Ester
JV 485MON 48500Isopropazol-d3Twin-Agro-d31-METHYLETHYL 5-(4-BROMO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-YL)-2-CHLORO-4-FLUOROBENZOATE1-Methylethyl 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluorobenzoateBenzoic acid, 5-(4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-2-chloro-4-fluoro-, 1-methylethyl esterBenzoic acid, 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-chloro-4-fluoro-, 1-methylethyl ester
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 497
Experimental & physicochemical properties
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Physicochemical properties
- Melting point
- 78 · 78-81°C
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Henry's Law Constant
- 1.3 · 1.3×101 mol/(m3Pa) at 25℃, MacBean (2012)
- FDA UNII
- 9 P1E61K · KJX9P1E61K
Chemistry & industry
Applications
DescriptionForm. Fluffy white crystalline solid Melting point. 79.5–80.5 C Vapor pressure. 7.0 × 108 mm Hg at 20 C Partition coefficient (n-octanol/water) at 25 C. 5.44 Solubility. 5.3 × 102 mg/L in water Stability. Stable in water
UsesAn active ingredient formulation to prepare agrochemicals and drugs in amorphous form.
Suppliers8 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
1 records
Compound notes
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