Grundinformationen
- Standard-SMILES
COC(=O)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F- InChIKey
KBHDSWIXRODKSZ-UHFFFAOYSA-N- Summenformel
- C9H7ClF3NO4S
- Durchschnittliche Molmasse
- 317,67 g/mol
- Monoisotopische Masse
- 316,9736411
Namen und Bezeichner
- Bevorzugter Name
- Amidoflumet
- IUPAC
- methyl 5-chloro-2-(trifluoromethylsulfonylamino)benzoate
- Englischer Name
- Methyl 5-chloro-2-(trifluoroMethylsulfonaMido)benzoate
- Summenformel
- C9H7ClF3NO4S
- Molmasse
- 317.67
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
84466-05-7- PubChem CID
- 9861780
- DTXSID
DTXSID9057842- ChEMBL
CHEMBL3182926- UNII
- N8D88V49HD
- EC Number
- 804-574-0
- Nikkaji
- J1.646.060E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 80,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 434
Physikochemische Eigenschaften
- Schmelzpunkt
- 80.7 °C · 80.7 °C
- Siedepunkt
- 348.3 · 348.3±52.0 °C(Predicted)
- Dichte
- 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
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Aquatic Chronic 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
- risk_code
- 25-51/53
- hazard_code
- T,N
- safety_code
- 45-61
- Speicherklasse
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 2
Chemie und Industrie
Anbieter6 Anbieter
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]
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