Daten werden ergänzt – meist innerhalb einer Minute fertig
Grundinformationen
- Standard-SMILES
COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC- InChIKey
QGHREAKMXXNCOA-UHFFFAOYSA-N- Summenformel
- C12H14N4O4S2
- Durchschnittliche Molmasse
- 342,402 g/mol
- Monoisotopische Masse
- 342,04564693
Namen und Bezeichner
- Bevorzugter Name
- Thiophanate-methyl
- IUPAC
- Dimethyl (1,2-phenylenedicarbamothioyl)biscarbamate
- Lokaler Name
- Thiophanat-methyl
- Englischer Name
- Thiophanate-methyl
- Summenformel
- C12H14N4O4S2
- Molmasse
- 342.39
Namen und Synonyme
SIGMADOCOVERmethylthiophanateROKOnf44ditekf63853336Geasout
Datenbank-Bezeichner
- CAS
23564-05-8- PubChem CID
- 3032791
- DTXSID
DTXSID1024338- ChEMBL
CHEMBL487187- ChEBI
CHEBI:35014- UNII
- K4N81R84L8
- EC Number
- 245-740-7
- Nikkaji
- J3.471A
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 172 °C · 172°C
- Dichte
- 1.4542 · 1.4542 (rough estimate)
- Dampfdruck
- -5 Pa · -5 Pa (25 °C)
- Brechungsindex
- 1.6 · 1.6000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 30 mg/mL; · DMF: 30 mg/mL; DMSO: 30 mg/mL
- Aggregatzustand
- Solid
- pka
- 7.28 · 7.28
- Farbe
- White to off-white
- Wasserlöslichkeit
- 0.1 g/100 · <0.1 g/100 mL at 20 ºC
- Merck
- 13 · 13,9427
- BRN
- 937942 · 937942
- Henry's Law Constant
- 8.2 · 8.2×103 mol/(m3Pa) at 25℃, HSDB (2015)
- Stabilität
- Stable. Incompatible with strong oxidizing agents, alkalies, copper salts.
- Major Application
- agriculturecleaning productscosmeticsenvironmentalfood and beveragespersonal care
- InChI
- 1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)
- InChIKey
- QGHREAKMXXNCOA-UHFFFAOYSA-N
- SMILES
- COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC
- LogP
- 1.4 at · 1.4 at 25℃
- EPA chemische Informationen
- Thiophanate-methyl (23564-05-8)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN 3077
- hs_code
- 29309090
- RTECS-Nr.
- BA3675000
- risk_code
- 20-43-50/53-68
- Toxizität
- LD50 in rats, mice, guinea pigs, rabbits (g/kg): 3.40, 6.64, 3.64, 2.27 orally (Hashimoto)
- hazard_code
- Xn;N,N,Xn
- safety_code
- 36/37-46-60-61
- Speicherklasse
- 11 - Combustible Solids
- Giftige Stoffe Daten
- 23564-05-8(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 4 InhalationAquatic Acute 1Aquatic Chronic 1Carc. 2Muta. 2Skin Sens. 1
Chemie und Industrie
Anwendungen
VerwendenThiophanate-Methyl is a systematic fungicide of the thiophanate class. Thiophanate-Methyl is commonly used in agriculture to protect against powdery mildew, rot and other fungal diseases in fruits, ve getables and other crops.
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Ergänzende Hinweise
DefinitionChEBI: A member of the class of thioureas that is the dimethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew a d grey mould.
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