Iprobenfos
Basic information
- CAS
26087-47-8- Standard SMILES
CC(C)OP(=O)(OC(C)C)SCc1ccccc1- InChIKey
FCOAHACKGGIURQ-UHFFFAOYSA-N- Molecular formula
- C13H21O3PS
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.0949027
Overview
Iprobenfos is an organic thiophosphate that is the S-benzyl O,O-diisopropyl ester of phosphorothioic acid. Used as a rice fungicide to control leaf and ear blast, stem rot and sheath blight. It has a role as a phospholipid biosynthesis inhibitor and an antifungal agrochemical.
Names & identifiers
- Preferred name
- Iprobenfos
- IUPAC
- di(propan-2-yloxy)phosphorylsulfanylmethylbenzene
- English name
- Iprobenfos
- Molecular formula
- C13H21O3PS
- Molecular weight
- 288.34
Names & synonyms
Iprobenfos26087-47-8Kitazin PKitazin LRicid IIS-BENZYL O,O-DIISOPROPYL PHOSPHOROTHIOATEO,O-Diisopropyl S-benzyl thiophosphateO,O-Diisopropyl-S-benzylthiophosphatePhosphorothioic acid, S-benzyl O,O-diisopropyl esterO,O-Bis(1-methylethyl) S-(phenylmethyl)phosphorothioateOV3YOE2895DTXSID7058040
Show more names
EBPIBPepbMPS4BricidpC15230B/MMP9ricidiiKITAZINpro-MMP
S-benzyl-O,O'-diisopropylphosphorothiolatebis(propan-2-yl) (benzylsulfanyl)phosphonateCHEBI:79737O,O diisopropyl-S-benzylthiophosphateRefChem:148657DTXCID9031808247-449-0Iprofenfos
Database identifiers
- CAS
26087-47-8- PubChem CID
- 33294
- DTXSID
DTXSID7058040- ChEMBL
CHEMBL388384
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Iprobenfos (IBP)) -> USDA PDB
LogP
3.34
3.43
Solubility0.4 mg/mL at 20 °C
Melting Point< 25 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 126 °C · 126°C
- Density
- 1.1001 g/cm3 · 1.1001 g/cm3
- vapor pressure
- 2.5 x · 2.5 x 10-4 Pa (20 °C)
- refractive index
- 1.51 · approximate 1.51
- Flash point
- 11 °C · 11 °C
- storage temp.
- 4 °C · APPROX 4°C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute toxicity (Oral) - Category 4
Acute toxicity (Oral) - Category 4
Acute Tox. 4 *
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- rtecs
- TE6550000
- ridadr
- UN 3082
- hs_code
- 29309090
- risk_code
- 22-51/53-39/23/24/25-23/24/25-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn;N,N,Xn,T,F
- safety_code
- 61-45-36/37-16-7
- hazard_class
- 6.1(a)
- Storage Class
- 10 - Combustible liquids
- packing_group
- II
- Hazard statements
- H302-H411
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Applications
UsesIprobenfos 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.
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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