Basic information
- CAS
5131-24-8- Standard SMILES
CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O- InChIKey
MTBZIGHNGSTDJV-UHFFFAOYSA-N- Molecular formula
- C12H14NO4PS
- Average molar mass
- 299.28 g/mol
- Monoisotopic mass
- 299.0381161
Overview
Ditalimfos is a member of isoindoles and a phthalimide fungicide.
Names & identifiers
- Preferred name
- Ditalimfos
- IUPAC
- 2-diethoxyphosphinothioylisoindole-1,3-dione
- English name
- DITALIMFOS
- Molecular formula
- C12H14NO4PS
- Molecular weight
- 299.28
Names & synonyms
Ditalimfos5131-24-8MilliePlondrelLaptranFrutogardDITALIMPHOSO,O-Diethyl phthalimidophosphonothioateDowco-199Ortho 199O,O-diethyl phthalimidophosphonothionateRE 199
Show more names
sf101re199FarmilleuconM 2452
SF 101M-2452O 199Phosphonothioic acid, phthalimido-, O,O-diethyl ester80DYL6I8WWPhosphonothioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, O,O-diethyl esterSF-101O,O-Diethyl (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phosphonothioate
Database identifiers
- CAS
5131-24-8- PubChem CID
- 21207
- DTXSID
DTXSID3041902- ChEBI
CHEBI:82067- UNII
- 80DYL6I8WW
- EC Number
- 225-875-8
- Nikkaji
- J8.813G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 394
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Pesticides -> Fungicides
Pesticide (Ditalimfos) -> USDA PDB
LogP3.48
Human DrugsPharmaceuticals
Vapor Pressure0.00000002 [mmHg]
Physical DescriptionColorless solid; [Aldrich MSDS]
Ionization Efficiency
Positive
2.89
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Physicochemical properties
- Melting point
- 85 · 85-86℃
- Boiling point
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
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information2002/2076
Hazards SummaryAllergic contact dermatitis reported in sprayers and florists; [Kanerva, 1st ed., p. 792] An irritant; Toxic by skin absorption; [Aldrich MSDS]
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin irritation - category 2
Skin Irrit. 2
Toxicology
Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- rtecs
- TB2050000
- ridadr
- UN2811 6.1/PG 3
- hs_code
- 29337900
- Toxicity
- LD50 oral in rabbit: 1gm/kg
Chemistry & industry
Uses & manufacturing
Uses
Used as a fungicide on roses; [Kanerva, 1st ed., p. 792] No active product registrations in the US; [NPIRS]
Farming (Pesticides) [Category: Industry]
Use ClassificationPharmaceuticals
Applications
UsesDitalimfos is an organophosphorus pesticide.
Suppliers28 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Related reactions
3 records
Compound notes
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