Basic information
- CAS
84466-05-7- Standard SMILES
COC(=O)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F- InChIKey
KBHDSWIXRODKSZ-UHFFFAOYSA-N- Molecular formula
- C9H7ClF3NO4S
- Average molar mass
- 317.67 g/mol
- Monoisotopic mass
- 316.9736411
Names & identifiers
- Preferred name
- Amidoflumet
- IUPAC
- methyl 5-chloro-2-(trifluoromethylsulfonylamino)benzoate
- English name
- Methyl 5-chloro-2-(trifluoroMethylsulfonaMido)benzoate
- Molecular formula
- C9H7ClF3NO4S
- Molecular weight
- 317.67
Names & synonyms
Amidoflumet84466-05-7Amidoflumet [ISO]DTXSID9057842Amidoflumet (JAN)N8D88V49HDAMIDOFLUMET [JAN]DTXCID00316312-(TRIFLUOROMETHYLSULFONYLAMINO)-5-CHLOROBENZOIC ACID METHYL ESTER5-CHLORO-2-(TRIFLUOROMETHYLSULFONYLAMINO)BENZOIC ACID METHYL ESTERMETHYL 5-CHLORO-2-(((TRIFLUOROMETHYL)SULFONYL)AMINO)BENZOATERefChem:557162
Show more names
Methyl 5-chloro-2-{[(trifluoromethyl)sulfonyl]amino}benzoate5-Chloro-2-{[(trifluoromethyl)sulfonyl]amino}benzoic acid methyl esterBenzoic acid, 5-chloro-2-[[(trifluoromethyl)sulfonyl]amino]-, methyl ester
Methyl 5-chloro-2-trifluoromethanesulfonylaminobenzoateMethyl 5-chloro-2-(trifluoromethylsulfonamido)benzoateMethyl 5-chloro-2-(trifluoromethylsulfonylamino)benzoateMFCD24386405UNII-N8D88V49HDSCHEMBL27241CHEMBL3182926methyl 5-chloro-2-(trifluoromethanesulfonamido)benzoate
Database identifiers
- CAS
84466-05-7- PubChem CID
- 9861780
- DTXSID
DTXSID9057842- ChEMBL
CHEMBL3182926- UNII
- N8D88V49HD
- EC Number
- 804-574-0
- Nikkaji
- J1.646.060E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Melting point
- 80.7 °C · 80.7 °C
- Boiling point
- 348.3 · 348.3±52.0 °C(Predicted)
- Density
- 1.619 · 1.619±0.06 g/cm3(Predicted)
- pka
- 2.92 · 2.92±0.10(Predicted)
- Major Application
- agricultureenvironmental
- InChI
- 1S/C9H7ClF3NO4S/c1-18-8(15)6-4-5(10)2-3-7(6)14-19(16,17)9(11,12)13/h2-4,14H,1H3
- InChIKey
- KBHDSWIXRODKSZ-UHFFFAOYSA-N
- SMILES
- CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)OC(F)(F)F
- FDA UNII
- 8 D88V49HD · N8D88V49HD
- UNSPSC Code
- 77101502 · 77101502
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H411
- Precautionary statements
- 273 · P273-P301+P310
- Hazard Codes
- T,N
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Aquatic Chronic 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
- risk_code
- 25-51/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T,N
- safety_code
- 45-61
- Storage Class
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard statements
- H301-H411
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 2
- Precautionary statements
- P273-P301+P310
Chemistry & industry
Applications
DescriptionAmidoflumet is a public health insect not approved for use in most of the developed world. Little is known about its chemical properties, environmental fate nor its toxicity to humans or biodiversity.
UsesAmidoflumet is an Acaricide.
General DescriptionMiticide for house dust mites
Suppliers6 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Related reactions
1 records
Compound notes
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