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Basic information
- CAS
2587-76-0- Standard SMILES
CCCCCCC[CH2][Sn]([Cl])([CH2]CCCCCCC)[CH2]CCCCCCC- InChIKey
MCNGJXAXOJDJKO-UHFFFAOYSA-M- Molecular formula
- C24H51ClSn
- Average molar mass
- 493.8 g/mol
- Monoisotopic mass
- 494.270132
Names & identifiers
- Preferred name
- Trioctyltin chloride
- IUPAC
- chloro(trioctyl)stannane
- English name
- Trioctyltin chloride
- Molecular formula
- C24H51ClSn
- Molecular weight
- 493.82
Names & synonyms
Trioctyltin chlorideStannane, chlorotrioctyl-chloro(trioctyl)stannaneChlorotrioctylstannaneTri-n-octyltin chlorideTin, chlorotrioctyl-EINECS 219-969-8UNII-176VII0B0KNSC 65479BRN 4133182176VII0B0KNSC-65479
Show more names
SKL1128chlorotrioctyltinchlorotrioctyl-tiTrioctyltin chloridChlortrioctylstannanThree octyl chlorideTrioctylchlorotin(IV)
TRIOCTYLCHLOROSTANNANEDTXSID3029657Trioctyltin chloride (6 CI)RefChem:191860Tin, chlorotrioctyl-(7CI)DTXCID4096572587-76-0Tri-n-octylchlorotin
Database identifiers
- CAS
2587-76-0- PubChem CID
- 75757
- DTXSID
DTXSID3029657- UNII
- 176VII0B0K
- EC Number
- 219-969-8
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 21
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 193 · 193-198 °C(Press: 0.1 Torr)
- Density
- 1.04 g/mL · 1.04 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.482
- Flash point
- 100 °C · 100 °C
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- Chloroform (Sparingly)
- form
- Oil
- color
- Colourless
- Specific Gravity
- 1.041 · 1.041
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- CAS DataBase Reference
- 2587 · 2587-76-0(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
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
This chemical does not meet GHS hazard criteria for 4.3% (3 of 69) of reports.
Warning
H315 (91.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (91.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (91.3%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 69 reports by companies.；There are 7 notifications provided by 66 of 69 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Stannane, chlorotrioctyl-
Stannane, chlorotrioctyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Stannane, chlorotrioctyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 28-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17966
Other Safety Information
Chemistry & industry
Pharmacology
Metabolism/Metabolites
Though tin metal is very poorly absorbed, tin compounds may be absorbed via oral, inhalation, or dermal routes, with organotin compounds being much more readily absorbed than inorganic tin compounds. Tin may enter the bloodstream and bind to hemoglobin, where it is distributed and accumulates mainly in the kidney, liver, lung, and bone. Organotin compounds may undergo dealkylation, hydroxylation, dearylation, and oxidation catalyzed by cytochrome P-450 enzymes in the liver. The alkyl products of dealkylation are conjugated with glutathione and further metabolized to mercapturic acid derivatives. Tin and its metabolites are excreted mainly in the urine and feces. (L308)
Uses & manufacturing
U.S. Production2023: 500,000 - <1,000,000 lb；2022: 75,000 - <500,000 lb；2021: 75,000 - <500,000 lb；2020: 75,000 - <500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesProcessing aids not otherwise specified；Intermediate
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Stannane, chlorotrioctyl-: ACTIVE
Applications
UsesTri-n-octylchlorotin is an octyltin compound used to study the growth and fatty acid of the microscopic fungus Cochliobolus lunatus. It is also an organotin reagents used to covalently functionalize oxide nanostructures and multi-walled C nanotubes.
Preparation methods
PreparationTrioctyltin chloride is an organotin compound that can be prepared from tin powder and octyl chloride, or from octylmagnesium bromide and trichloro(phenyl)tinane.
Related reactions
5 records
Compound notes
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