Basic information
- Standard SMILES
CCCCCCC[CH2][Sn]([Cl])([Cl])[Cl]- InChIKey
INTLMJZQCBRQAT-UHFFFAOYSA-K- Molecular formula
- C8H17Cl3Sn
- Average molar mass
- 338.3 g/mol
- Monoisotopic mass
- 337.94177828
Overview
Mono-n-octyltin trichloride is an organotin compound. Tin is a chemical element with the symbol Sn and atomic number 50. It is a natural component of the earth's crust and is obtained chiefly from the mineral cassiterite, where it occurs as tin dioxide. (L307, L309)
Names & identifiers
- Preferred name
- Octyltin trichloride
- IUPAC
- trichloro(octyl)stannane
- English name
- Octyltrichlorotin
- Molecular formula
- C8H17Cl3Sn
- Molecular weight
- 338.29
Names & synonyms
Show more names
Database identifiers
- CAS
3091-25-6- PubChem CID
- 76538
- DTXSID
DTXSID3029659- UNII
- D5LF90P46Q
- EC Number
- 221-435-4
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 101
Experimental & physicochemical properties
Physical Description
Liquid; Liquid; Other Solid
Colorless liquid; [OECD SIDS] Pale yellow liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 150 · 150-159°C 10mm
- Density
- 1 · 1,35 g/cm3
- vapor pressure
- 2.67 hPa · 2.67hPa at 100℃
- Flash point
- 121 °C · >121°C
- solubility
- Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Pale Yellow
- Specific Gravity
- 1.35 · 1.35
- Water Solubility
- 330 μg/L · 330μg/L at 20℃
- Stability
- Hygroscopic, Moisture Sensitive
- InChI
- InChI=1S/C5H5F7O4/c6-1(2(13,14)4(7,8)9)3(15,16)5(10,11)12/h1,13-16H
- InChIKey
- INTLMJZQCBRQAT-UHFFFAOYSA-K
- SMILES
- [Sn](Cl)(Cl)(Cl)CCCCCCCC
- FDA 21 CFR
- 178.265 · 178.2650
- Indirect Additives used in Food Contact Substances
- TRICHLOROOCTYLSTANNANE
- FDA UNII
- 5 LF90P46Q · D5LF90P46Q
- EPA Substance Registry System
- Stannane, trichlorooctyl- (3091-25-6)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 8 · GHS08,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 400 · H400-H410-H315-H373-H318-H361
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P260-P314-P501-P280-P305+P351+P338-P310-P273-P391-P501-P273-P391-P501-P201-P202-P281-P308+P313-P405-P501
- target organs
- thymus
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 1760 · 1760
- WGK Germany
- 3 · WGK 3
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Repr. 2Skin Irrit. 2STOT RE 2 Oral
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 4600 mg/kg ARZNAD 19,934,69
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 12.5% (3 of 24) of reports.
Danger
H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P260, P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P318, P319, P321, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 24 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: Stannane, trichlorooctyl-
Stannane, trichlorooctyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Stannane, trichlorooctyl- 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: 23-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13860
Hazards Summary
Reacts with water forming monooctyltin oxide and hydrogen chloride; Always produced as a mixture with dioctyltin dichloride (DOTC, CAS# 3542-36-7); [OECD SIDS] Reacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Dichlorodioctylstannane.
Hazard Classes and Categories
Skin Irrit. 2 (87.5%)
Eye damage - category 1
Safety & protection
Threshold Limit Values (TLV)
0.1 [mg/m3], as Sn
0.2 [mg/m3], as Sn
Toxicology
Toxicity Summary
Organotin compounds produce neurotoxic and immunotoxic effects. Organotins may directly activate glial cells contributing to neuronal cell degeneration by local release of pro-inflammatory cytokines, tumor necrosis factor-_, and/or interleukins. They may also induce apoptosis by direct action on neuronal cells. Organotin compounds stimulate the neuronal release of and/or decrease of neuronal cell uptake of neurotransmitters in brain tissue, including aspartate, GABA, glutamate, norepinephrine, and serotonin. This may be either a contributing factor to or result of the neuronal cell loss. The immunotoxic effects of organotins are characterized by thymic atrophy caused by the suppression of proliferation of immature thymocytes and apoptosis of mature thymocytes. Organotin compounds are believed to exert these effects by suppressing DNA and protein synthesis, inducing the expression of genes involved in apoptosis (such as nur77), and disrupting the regulation of intracellular calcium levels, giving rise to the uncontrolled production of reactive oxygen species, release of cytochrome c to the cytosol, and the proteolytic and nucleolytic cascade of apoptosis. The suppression of proliferation of immature thymocytes further results in the suppression of T-cell-mediated immune responses. Organotins are also endocrine disruptors and are believed to contribute to obesity by inappropriate receptor activation, leading to adipocyte differentiation. Inorganic tin triggers eryptosis, contributing to tin-induced anemia. (L308, A182, A184)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- 1760
- Toxicity
- LD50 orl-rat: 4600 mg/kg ARZNAD 19,934,69
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09,GHS05
- safety_code
- 26-36/37/39
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- thymus
- Hazard statements
- H400-H410-H315-H373-H318-H361
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Repr. 2Skin Irrit. 2STOT RE 2 Oral
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P260-P314-P501-P280-P305+P351+P338-P310-P273-P391-P501-P273-P391-P501-P201-P202-P281-P308+P313-P405-P501
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
Uses
Used as an intermediate for organotin compounds; The thioglycolate ester is used as a heat stabilizer for polyvinyl chloride (PVC) and chlorinated PVC (CPVC) with applications including indirect food contact products, sheets, injection mouldings, pipes, sidings, and other rigid PVC products; [OECD SIDS]
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Stannane, trichlorooctyl-: ACTIVE
Applications
UsesTrichlorooctyl-stannane is used as an end capping agent for high 1,4-vinyl content rubber having good wear resistance, mech. properties and reduced cold flow.
Suppliers32 total
Related reactions
Linked notes
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