Flusulfamide
Basic information
- CAS
106917-52-6- Standard SMILES
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1- InChIKey
GNVDAZSPJWCIQZ-UHFFFAOYSA-N- Molecular formula
- C13H7Cl2F3N2O4S
- Average molar mass
- 415.2 g/mol
- Monoisotopic mass
- 413.9455678
Overview
Flusulfamide is a sulfonamide resulting from the formal condensation 4-chloro-3-(trifluoromethyl)benzenesulfonic acid with 2-chloro-4-nitroaniline. A fungicide, it is used to control Plasmodiophora brassicae in brassicas and Polymyxa betae in sugarbeet. It has a role as an antifungal agrochemical. It is a sulfonamide, a C-nitro compound, a member of monochlorobenzenes, a member of (trifluoromethyl)benzenes and a sulfonanilide fungicide.
Names & identifiers
- Preferred name
- Flusulfamide
- IUPAC
- 4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)benzenesulfonamide
- English name
- Flusulfamide
- Molecular formula
- C13H7Cl2F3N2O4S
- Molecular weight
- 415.17
Names & synonyms
Flusulfamide106917-52-6Nebijin4-Chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)benzenesulfonamideMTF 651LKO7028G4UDTXSID9057929CHEBI:818012',4-dichloro-alpha,alpha,alpha-trifluoro-4'-nitro-m-toluenesulfonanilideRefChem:141064DTXCID4031697Flusulfamide [ISO]
Show more names
mtf651FLUSULFAMIDE STANDARDFlusulfamide SolutionAnthraquinone Impurity 14flusulfamide (bsi, draft e-iso)Flusulfamide Reference MaterialFlusulfamide@100 μg/mL in Acetonitrile
4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)benzene-1-sulfonamideMFCD002745934-Chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)benzenesulphonamideUNII-LKO7028G4UC13H7Cl2F3N2O4SBenzenesulfonamide, 4-chloro-N-(2-chloro-4-nitrophenyl)-3-(trifluoromethyl)-2',4-Dichloro-alpha,alpha,alpha-trifluoro-4'-nitro-m-toluenesulfonanilide (IUPAC)SCHEMBL20690
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 594
Experimental & physicochemical properties
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
LogP2.4
Physicochemical properties
- Melting point
- 168 · 168~173℃
- Boiling point
- 498.2 · 498.2±55.0 °C(Predicted)
- Density
- 1.675 · 1.675±0.06 g/cm3(Predicted)
- storage temp.
- 0 · 0-6°C
- pka
- 4.74 · 4.74±0.10(Predicted)
- Henry's Law Constant
- 4 · 4.0×103 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7028 G4U · LKO7028G4U
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H400
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
Hazard information
Regulatory InformationFlusulfamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity (Oral) - Category 3
Acute toxicity (Oral) - Category 3
Safety data
- hs_code
- 29350090
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- hazard_code
- Xi
- Hazard statements
- H301-H400
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P273-P391-P501
Chemistry & industry
Applications
DescriptionFlusulfamide is a fungicide used as a soil treatment to control club root and other root diseases. It has a low aqueous solubility and a low volatility. There are significant gaps in data relatd to environmental fate and human toxicity but oral mammalian toxicity is moderate. Toxicity to biodiversity tends to be moderate but gaps in data exist,
UsesFlusulfamide is a fungicide used in pesticide formulations in the treatment of crops.
Additional notes
DefinitionChEBI: A sulfonamide resulting from the formal condensation 4-chloro-3-(trifluoromethyl)benzenesulfonic acid with 2-chloro-4-nitroaniline. A fungicide, it is used to control Plasmodiophora brassicae in brassicas and Polymyxa betae in sug rbeet.
Related reactions
2 records
Compound notes
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