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HCID 33294Erstellt: 26. Oktober 2026

Thiophosphorsäure-O,O-bis(1-me-thylethyl)-S-(phenylmethyl)ester

EBP · IBP · epb · MPS4B · ricidp · C15230 · B/MMP9 · ricidii

https://huagongshe.com/de/chemical/33294

Molekülstruktur von Thiophosphorsäure-O,O-bis(1-me-thylethyl)-S-(phenylmethyl)ester

Identifikatoren & physikalische Daten

CAS No.26087-47-8
SummenformelC13H21O3PS
Durchschnittliche Molmasse288,34 g/mol
Monoisotopische Masse288,0949027 g/mol
SMILESCC(C)OP(=O)(OC(C)C)SCc1ccccc1
InChIKeyFCOAHACKGGIURQ-UHFFFAOYSA-N
PubChem CID33294
ChEMBLCHEMBL388384
ChEBICHEBI:79737
EC No.247-449-0
DTXSIDDTXSID7058040
Lokaler NameThiophosphorsäure-O,O-bis(1-me-thylethyl)-S-(phenylmethyl)ester

Chemische & physikalische Eigenschaften

XLogP3,2
Polarare Oberfläche (TPSA)60,8
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen7
Schwere Atome18
Formalladung0
Komplexität261
LogP (Verteilungskoeffizient)3.34
Löslichkeit0.4 mg/mL at 20 °C430 mg l-1(20 °C)
Schmelzpunkt< 25 °C25°C
Physical DescriptionSolid
Kovats Retention Index18171819.51783180518201838184518591823.52534
Siedepunkt126°C
Dichte1.1001 g/cm3
Dampfdruck2.5 x 10-4 Pa (20 °C)
Brechungsindexapproximate 1.51
Flammpunkt11 °C
LagerbedingungenAPPROX 4°C
Aggregatzustandliquid
FarbeColorless to light yellow
Biologische Quellerabbit
BRN1974687
Henry-Konstante2.6×102 mol/(m3Pa) at 25℃, Watanabe (1993)
Hauptanwendungenagricultureenvironmental
InChI1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
InChIKeyFCOAHACKGGIURQ-UHFFFAOYSA-N
SMILESCC(C)OP(=O)(OC(C)C)SCc1ccccc1
CAS Datenbank26087-47-8(CAS DataBase Reference)
NIST chemische InformationenKitazin p(26087-47-8)
EPA chemische InformationenPhosphorothioic acid, O,O-bis(1-methylethyl) S-(phenylmethyl) ester (26087-47-8)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302: Harmful if swallowed [Warning Acute toxicity, oral]H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Hazard Classes and CategoriesAcute Tox. 4 (100%)Aquatic Chronic 2 (100%)Acute toxicity - category 4Hazardous to the aquatic environment (chronic) - category 2Acute toxicity (Oral) - Category 4Acute toxicity (Inhalation: Dusts and mists) - Category 2Serious eye damage/eye irritation - Category 2BSkin sensitization - Category 1Specific target organ toxicity - Single exposure - Category 2 (nervous system)Hazardous to the aquatic environment (Acute) - Category 1Hazardous to the aquatic environment (Long-term) - Category 1Reproductive toxicity - Category 2Specific target organ toxicity - Single exposure - Category 1 (nervous system)Specific target organ toxicity - Repeated exposure - Category 2 (nervous system)Acute Tox. 4 *Aquatic Chronic 2
Wassergefährdungsklasse (WGK)2
UN-TransportnummerUN 3082
Zollcode29309090
RTECS-Nr.TE6550000
R-Sätze (R)22-51/53-39/23/24/25-23/24/25-11
GefahrensymboleXnN,N,Xn,T,F
Sicherheitshinweise (S)61-45-36/37-16-7
Gefahrenklasse6.1(a)Acute Tox. 4 OralAquatic Chronic 2
VerpackungsgruppeII
Lagerklasse10 - Combustible liquids

Anwendungen & Verwendung

Verwenden

Iprobenfos is a systemic fungicide which provides effective protective and curative control of leaf and ear blast (Pyricularia oryzae), stem rot (Helminthosporium spp.) and sheath blight (Rhizoctonia solani) in rice.