Isopyrazam
Grundinformationen
- CAS
881685-58-1- Standard-SMILES
CC(C)C1C2CCC1c1c(NC(=O)c3cn(C)nc3C(F)F)cccc12- InChIKey
XTDZGXBTXBEZDN-UHFFFAOYSA-N- Summenformel
- C20H23F2N3O
- Durchschnittliche Molmasse
- 359,4 g/mol
- Monoisotopische Masse
- 359,1809188
Überblick
Isopyrazam can cause cancer according to The Environmental Protection Agency (EPA).
Namen und Bezeichner
- Bevorzugter Name
- Isopyrazam
- IUPAC
- 3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
- Englischer Name
- IsopyrazaM
- Summenformel
- C20H23F2N3O
- Molmasse
- 359.41
Namen und Synonyme
Isopyrazam881685-58-1DTXSID7058208F098T24Q5Q3-(difluoromethyl)-1-methyl-N-(1,2,3,4-tetrahydro-9-(1-methylethyl)-1,4-methanonaphthalen-5-yl)-1H-pyrazole-4-carboxamideBONTIMAREFLECTSEGURIS FLEXIRefChem:792273DTXCID0031976CHEBI:83126SYN520453
Weitere Namen anzeigen
Isopyraza MixtureIsopyrazam solutionC14473000 IsopyrazamIsopyrazam (Standard)Isopyrazam in AcetonitrileIsopyrazam, mixture of isomersIsopyrazam 100 μg/ml AcetonitrileIsopyrazam@100 μg/mL in AcetonitrileIsopyrazam@1000 μg/mL in Acetonitrile
3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methyl-1H-pyrazole-4-carboxamide3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamideIsopyrazam [ISO]UNII-F098T24Q5QSCHEMBL162518SCHEMBL437176orb2695311
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 46,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 543
Experimentelle und physikochemische Eigenschaften
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Fungicides
Pesticide (Isopyrazam) -> USDA PDB
Collision Cross Section
183.94 Ų [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
199.99 Ų [M+Cl]-
Physikochemische Eigenschaften
- Siedepunkt
- 407 · 407.0±45.0 °C(Predicted)
- Dichte
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- Dampfdruck
- 0 · 0-0Pa at 20-25℃
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 12.27 · 12.27±0.40(Predicted)
- Henry's Law Constant
- 5.3 · 5.3×103 mol/(m3Pa) at 25℃, Maniere et al. (2011)
- Major Application
- agricultureenvironmental
- InChI
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P261, P272, P273, P280, P302+P352, P318, P321, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Hazard Traits - Carcinogenicity; Reproductive Toxicity
Regulation (EC) No 396/2005 (amended)
Isopyrazam is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Dossier complete 2010/132/EU, Reg. (EU) 2015/1106, Reg. (EU) 2018/155, Reg. (EU) 2022/782, Reg. (EU) No 1037/2012
Status: Active Update: 02-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33201
Hazard Classes and Categories
Skin Sens. 1 (100%)
Aquatic Acute 1 (100%)
Carc. 2
Toxikologische Informationen
RAIS Toxicity Values
0.3
OPP
0.055
OPP
0.00629
OPP
EPA Human Health Benchmarks for Pesticides
Isopyrazam
0.3
2000
Children
0.055
330
Sicherheitsdaten
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationFungicides
Anwendungen
VerwendenIsopyrazam is a pesticide which acts as a succinate dehydrogenase inhibiting fungicide used in mold control.
Anbieter1 Anbieter
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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