Triphenyltin Chloride

An aromatic compound, C18H15ClSn, 385.482 g/mol. Boiling point 240 °C @ 13.5 mm Hg, melting point 103.5 °C, as published.

verified recordOrganic — aromatic compound5 measured properties

Identifiers

Molecular formula: C₁₈H₁₅ClSn
Molecular weight: 385.482 g/mol
Exact mass: 385.988423 g/mol
SMILES: Cl[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/3C6H5.ClH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1
InChIKey: NJVOZLGKTAPUTQ-UHFFFAOYSA-M

Open in ReactionLens Use in reaction prediction

Measured properties

Published measurements, each with its source. Two readings of one property are both shown, in the units each used.

Boiling Point: 464 °F at 13.5 mmHg (EPA, 1998)measured · U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.; 240 °C @ 13.5 mm Hgmeasured · Lewis, R.J., Sr (Ed.). Hawley's Condensed Chemical Dictionary. 13th ed. New York, NY: John Wiley & Sons, Inc. 1997., p. 1142
Melting Point: 223 °F (EPA, 1998)measured · U.S. Environmental Protection Agency. 1998. Extremely Hazardous Substances (EHS) Chemical Profiles and Emergency First Aid Guides. Washington, D.C.: U.S. Government Printing Office.; 103.5 °Cmeasured · Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-315; 106 °Cmeasured · reference compound database
Solubility: 40 ppm in water at 20 °Cmeasured · Farm Chemicals Handbook 88. Willoughby, Ohio: Meister Publishing Co., 1988., p. C-231; Moderately sol in organic solventsmeasured · Farm Chemicals Handbook 88. Willoughby, Ohio: Meister Publishing Co., 1988., p. C-231; Soluble in chloroformmeasured · Lide, DR (ed.). CRC Handbook of Chemistry and Physics. 81st Edition. CRC Press LLC, Boca Raton: FL 2000, p. 3-315
Vapor Pressure: 0.00000548 [mmHg]measured · reference compound database
LogP: log Kow = 4.19measured · Arnold CG et al; Environ Sci Technol31: 2596-2602 (1997

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

logP: 2.8923calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 0 Å²calculated · chemistry engine; Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors: 0calculated · chemistry engine; Atoms that can donate a hydrogen bond.
H-bond acceptors: 0calculated · chemistry engine; Atoms that can accept a hydrogen bond.
Rotatable bonds: 3calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 89.835 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 0calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.6085calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

C Carbon18 atoms · 56.1% by mass
Sn Tin1 atom · 30.8% by mass
Cl Chlorine1 atom · 9.2% by mass
H Hydrogen15 atoms · 3.9% by mass

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded: 20
Total atoms, hydrogen included: 35
Rings: 3
Aromatic rings: 3
Stereocentres: 0
Formal charge: 0

Functional groups

Aromatic ring
A flat six-membered ring with delocalised electrons.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves Triphenyltin Chloride yet.

Other names for it

No systematic name is recorded.

The sources also call it Fentin chloride, Chlorotriphenylstannane, Chlorotriphenyltin, Triphenylchlorotin, Stannane, chlorotriphenyl-, Triphenylchlorostannane, Brestanol, TPTC, Aquatin, Tinmate, Phenostat-C, General chemicals 8993.

Structurally related

Nothing structurally close to Triphenyltin Chloride has a page here yet.

Where these values came from

chemistry engine
structure perception

compound record.

What this page does not claim

Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.