Basic information
- Name:
Fosthiazate
- CAS No.:
98886-44-3
- Molecular Structure:
- Formula:
- C9H18NO3PS2
- Molecular Weight:
- 283.35
- Synonyms:
- Phosphonothioicacid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester (9CI);Phosphonothioic acid,P-(2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester;IKI 1145;Nemathorin;S-sec-Butyl O-ethyl(2-oxo-3-thiazolidinyl)phosphonothioate;
- Density:
- 1.26 g/cm3
- Boiling Point:
- 371.3 °C at 760 mmHg
- Flash Point:
- 178.3 °C
- Appearance:
- light yellow liquid
- Hazard Symbols:
T,
N- Risk Codes:
- 21-23/25-39-41-43-50/53
- Safety Description:
- 53-25-26-39-45-60-61 Details
- Transport Information:
- UN 2810
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Chemistry
Molecule structure of Fosthiazate (CAS NO.98886-44-3):
IUPAC Name: 3-[Butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,3-thiazolidin-2-one
Molecular Weight: 283.347881 g/mol
Molecular Formula: C9H18NO3PS2
Density: 1.26 g/cm3
Boiling Point: 371.3 °C at 760 mmHg
Flash Point: 178.3 °C
Index of Refraction: 1.54
Molar Refractivity: 70.15 cm3
Molar Volume: 223.3 cm3
Surface Tension: 47.6 dyne/cm
Enthalpy of Vaporization: 61.83 kJ/mol
Vapour Pressure: 1.04E-05 mmHg at 25 °C
Storage Temp.: 0-6 °C
XLogP3-AA: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Exact Mass: 283.046571
MonoIsotopic Mass: 283.046571
Topological Polar Surface Area: 46.6
Heavy Atom Count: 16
Canonical SMILES: CCC(C)SP(=O)(N1CCSC1=O)OCC
InChI: InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3
InChIKey: DUFVKSUJRWYZQP-UHFFFAOYSA-N
Classification Code: Agricultural Chemical; Nematocide
Uses
Fosthiazate (CAS NO.98886-44-3) is used as pesticides and nematicide.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 91mg/kg (91mg/kg) | Agrochemcicals Japan. Vol. (65), Pg. 13, 1994. | |
| rat | LC50 | inhalation | 558mg/m3 (558mg/m3) | Agrochemcicals Japan. Vol. (65), Pg. 13, 1994. | |
| rat | LD50 | oral | 57mg/kg (57mg/kg) | Agrochemcicals Japan. Vol. (65), Pg. 13, 1994. | |
| rat | LD50 | skin | 861mg/kg (861mg/kg) | Agrochemcicals Japan. Vol. (65), Pg. 13, 1994. |
Safety Profile
Hazard Codes: 
T, 
N
Risk Statements: 21-23/25-39-41-43-50/53
R21:Harmful in contact with skin.
R23/25:Toxic by inhalation and if swallowed.
R39:Danger of very serious irreversible effects.
R41:Risk of serious damage to the eyes.
R43:May cause sensitization by skin contact.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 53-25-26-39-45-60-61
S53:Avoid exposure - obtain special instructions before use.
S25:Avoid contact with eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 2810
RTECS: TB1707000
HazardClass: 6.1(b)
PackingGroup: III
Specification
Fosthiazate (CAS NO.98886-44-3) is also named as (RS)-S-sec-butyl-O-ethyl-2-oxo-1,3-thiazolidin-3-ylphosphonothioate ; ASC-66824 ; IKI 1145 ; Nemathorin ; O-Ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)phosphonothioate ; S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidine-3-yl)phosphonothioate ; Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester . Pure product is light yellow liquid.