Tributyltin chloride-[d27]

Inquiry

Molecular Formula:

C12D27ClSn

Molecular Weight:

352.67

CAS Number:

1257647-76-9

Catalog Number:

1257647-76-9

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

Canonical 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

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

353.251803 g/mol

Monoisotopic Mass

353.251803 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

104

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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