Octyltin trichloride

HCID 76538CAS 3091-25-6

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

Octyltin trichloridetrichloro(octyl)stannaneStannane, trichlorooctyl-OctyltrichlorotinTrichlorooctylstannaneMono-n-octyltin trichlorideStannane, octyltrichloro-Monooctyltin trichlorideMono-n-octyl-zinn-trichloridEINECS 221-435-4UNII-D5LF90P46QMono-n-octyl-zinn-trichlorid [German]
Show more names
OCTYLTINCHLORIDEN-OCTYLTRICHLOROTINoctyl-titrichloriden-Octyltin-trichloriOctyltrichlorotin(IV)MonooctyltintrichloridN-OCTYLTIN-TRICHLORIDEoctyltrichloro-stannanoctyltrichlorostannane
NSC 297508D5LF90P46QNSC-297508TIN, TRICHLOROOCTYL-DTXSID3029659EC 221-435-4nOctyltrichlorotinMOTCl

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

Experimental & physicochemical properties

Chemical ClassesMetals -> Tin Compounds, Organic
Vapor Pressure0.004 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 2 items

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

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 3 items

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

Other Safety InformationIMAP assessments - Stannane, trichlorooctyl-: Human health tier II assessment
Hazards Summary · 1 item

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 · 2 items

Skin Irrit. 2 (87.5%)

Eye damage - category 1

Safety & protection

Exposure Control and Personal Protection0.1 [mg/m3], as Sn[German Research Foundation (DFG)]
Threshold Limit Values (TLV) · 2 items

0.1 [mg/m3], as Sn

0.2 [mg/m3], as Sn

Permissible Exposure Limit (PEL)0.1 [mg/m3], as Sn
Immediately Dangerous to Life or Health (IDLH)25.0 [mg/m3], as Sn

Toxicology

Health EffectsBreathing or swallowing, or skin contact with organotins, can interfere with the way the brain and nervous system work, causing death in severe cases. Organic tin compounds may also damage the immune and reproductive system. (L307, L308)
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Exposure RoutesOral (L308) ; inhalation (L308) ; dermal (L308)
Toxicity Summary · 1 item

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)

Signs and SymptomsInorganic or organic tin compounds placed on the skin or in the eyes can produce skin and eye irritation. (L308)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

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

Chemistry & industry

Pharmacology

Metabolism/Metabolites · 1 item

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 · 1 item

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]

U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information · 2 items

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

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]

Related reactions

5 records

Linked notes

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