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1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide

CAS 133-06-2C9H8Cl3NO2SMW 300.6

1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide (CAS 133-06-2) — formula C9H8Cl3NO2S, molecular weight 300.6; category organic chemicals.

Product Overview

CAS Number133-06-2
Molecular FormulaC9H8Cl3NO2S
Molecular Weight300.6
Melting Point352 °F (NTP, 1992)
LogP2.4
CategoryOrganic Chemicals

Technical Profile

What this product is

1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide is a carbon-based organic compound with CAS registry number 133-06-2 and molecular formula C9H8Cl3NO2S (molecular weight 300.6), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 133-06-2

Its molecular formula C9H8Cl3NO2S comprises 9 C, 8 H, 3 Cl, 1 N, 2 O, 1 S atoms.

Also known as: 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide · Captan

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide?

The CAS registry number of 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide is 133-06-2.

What is the molecular formula and molecular weight of 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide?

Molecular formula C9H8Cl3NO2S, molecular weight 300.6.

What other names is 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide known by?

It is also registered under: 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide, Captan.

Which category does 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide (CAS 133-06-2), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number133-06-2
PubChem CID8606
Molecular formulaC9H8Cl3NO2S
IUPAC name2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Computed descriptors

Molecular Weight300.6
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass298.934133
Monoisotopic Mass298.934133
Topological Polar Surface Area62.7
Heavy Atom Count16

Physicochemical values on record

Melting Point352 °F (NTP, 1992)
Melting Point172.5 °C
Melting Point352 °F
SolubilityIn water, 5.1 mg/L at 25 °C
Solubility(77 °F): 0.0003%
Density1.74 g/cu cm at 25 °C
Density1.74
Density1.74 @25 °C
Vapor Pressure9X10-8 mm Hg at 25 °C
Vapor Pressure0 mmHg (approx)

Documented uses on record

    Captan is predominantly used in agriculture as a fungicide on a wide variety of fruits, vegetables, and ornamentals on plant seeds, and also on food crop packaging boxes.Most uses on food crops were cancelled by the EPA in 1989 [EXTOXNET]

    Synonyms and trade names

    CAPTAN; 133-06-2; Aacaptan; Orthocide; Merpan; Vondcaptan; Amercide; Captane; Malipur; Neracid; Captaf; Captex; Kaptan; Orthocide 406; Trimegol; Vancide 89

    Regulatory listings held on file

    Regulatory & Food ContactFDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
    CIR / INCI: Cosmetic ingredients (Captan) -> CIR (Cosmetic Ingredient Review)

    GHS hazard classification

    Reported hazard statementsH317, H318, H331, H351, H400, H330, H372, H410

    H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

    H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

    What the public record says

    1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide · CAS 133-06-2 · C9H8Cl3NO2S. Melting Point: 352 °F (NTP, 1992); Melting Point: 172.5 °C; Melting Point: 352 °F.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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