Tributyltin chloride-[d27]
Product Information
Molecular Formula
C12D27ClSn
Molecular Weight
352.67
Description
Tributyltin chloride-[d27] is a profoundly specialized compound availed for biomedical exploration and stands as an indispensable cornerstone facilitating the meticulous scrutiny and quantification of tributyltin chloride within drug metabolism examinations. Owing to its distinctive deuterium isotope, this singular entity permits precise tracking.
Synonyms
Tributyltin chloride-d27; Tri-n-butyltin Chloride-d27; Chlorotri-n-butylstannane-d27; Chlorotri-n-butyltin-d27; Chlorotributylstannane-d27; Chlorotributyltin-d27; Monochlorotributyltin-d27; NSC 22323-d27; Tri-n-butylchlorostannane-d27; Tri-n-butylchlorotin-d27; Tri-n-butylstannyl chloride-d27; Tributylchlorostannane-d27; Tributylchlorotin-d27; WR 3396-d27
IUPAC Name
chloro-tris(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)stannane
SMILES
CCCC[Sn](CCCC)(CCCC)Cl
InChI
InChI=1S/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1/i3*1D2,2D3,3D2,4D2;;
InChI Key
GCTFWCDSFPMHHS-FMYBXEBSSA-M
Boiling Point
171-173°C at 25 mmHg (lit.)
Flash Point
Not applicable
Purity
96% (CP); 98% atom D
Solubility
Soluble in Chloroform
Appearance
Light Yellow Liquid
Storage
Store at -20°C
Related CAS
1461-22-9 (unlabelled)
Safety Information
Hazards
H301 - H312 - H315 - H317 - H319 - H360FD - H372 - H410
Precautionary Statement
P201 - P273 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
9
Exact Mass
353.251803 g/mol
Monoisotopic Mass
353.251803 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
104
Isotope Atom Count
27
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2011282587-A1 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | 2010-05-17 |
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | 2010-05-17 |
| JP-2010049763-A | Organic gas permeability evaluation method and permeability evaluation apparatus | 2008-08-22 |
