Basic information
- CAS
130000-40-7- Standard SMILES
Cc1nc(C(F)(F)F)c(C(=O)Nc2c(Br)cc(OC(F)(F)F)cc2Br)s1- InChIKey
WOSNCVAPUOFXEH-UHFFFAOYSA-N- Molecular formula
- C13H6Br2F6N2O2S
- Average molar mass
- 528.06 g/mol
- Monoisotopic mass
- 525.84209
Overview
Thifluzamide is an aromatic amide obtained by formal condensation of the carboxy group of 2-methyl-4-(trifluoromethyl)thiazole-5-carboxylic acid with the amino group of 2,6-dibromo-4-(trifluoromethoxy)aniline. Used to control Rhizoctonia spp. diseases on rice, potatoes, maize, grass and other crops. It has a role as an EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor and an antifungal agrochemical. It is an aromatic ether, an organofluorine compound, a dibromobenzene, a member of 1,3-thiazoles, an aromatic amide and an anilide fungicide.
Names & identifiers
- Preferred name
- Thifluzamide
- IUPAC
- N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
- English name
- THIFLUZAMIDE
- Molecular formula
- C13H6Br2F6N2O2S
- Molecular weight
- 528.06
Names & synonyms
Thifluzamide130000-40-7MON-240002J3TB6Z254MON240002',6'-dibromo-2-methyl-4'-trifluoromethoxy-4-trifluoromethyl-1,3-thiazole-5-carboxanilideN-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-5-thiazolecarboxamideDTXSID6057954CHEBI:81794N-(2,6-DIBROMO-4-(TRIFLUOROMETHOXY)PHENYL)-2-METHYL-4-(TRIFLUOROMETHYL)-5-THIAZOLECARBOXAMIDERefChem:189395DTXCID4031722
Show more names
ThirluzamidetrifuzamidePulsorGranualMON 2400RH 130753hifluzamide
N-(2,6-Dibromo-4-(trifluoromethoxy)phenyl)-2-methyl-4-(trifluoromethyl)thiazole-5-carboxamideGREATAMN-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamideThifluzamide [ISO]MFCD03428071C13H6Br2F6N2O2SThifluzamide (Standard)MON 24000
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Melting point
- 178 ℃ · 178℃
- Boiling point
- 375.9 · 375.9±42.0 °C(Predicted)
- Density
- 1.93 · 1.930
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 8.24 · 8.24±0.70(Predicted)
- form
- Solid
- color
- White to Gray to Red
- Henry's Law Constant
- 1.2 · 1.2×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Major Application
- agricultureenvironmental
- InChI
- InChI=1S/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)
- InChIKey
- WOSNCVAPUOFXEH-UHFFFAOYSA-N
- SMILES
- S1C(C(NC2=C(Br)C=C(OC(F)(F)F)C=C2Br)=O)=C(C(F)(F)F)N=C1C
- CAS DataBase Reference
- 130000 · 130000-40-7
- FDA UNII
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
Warning
H400 (98.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Aquatic Acute 1 (98.5%)
Specific target organ toxicity - Repeated exposure - Category 1 (liver)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29341000
- risk_code
- 50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- hazard_code
- N
- safety_code
- 60-61
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Applications
UsesThifluzamide is a fungicide found in cereals, vegetables and fruits; A succinate dehydrogenase inhibitor.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.
Related reactions
2 records
Compound notes
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