CAS 3757-88-8 Tributyl(2-phenylethynyl)stannane (HCID 630640)

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Basic information

CAS: 3757-88-8
Standard SMILES: CCC[CH2][Sn]([C]#Cc1ccccc1)([CH2]CCC)[CH2]CCC
InChIKey: PYMPTRMDPJYTDF-UHFFFAOYSA-N
Molecular formula: C20H32Sn
Average molar mass: 391.2 g/mol
Monoisotopic mass: 392.15259572

Names & identifiers

Preferred name: Tributyl(2-phenylethynyl)stannane
IUPAC: tributyl(2-phenylethynyl)stannane
English name: Phenylethynyltri-n-butyltin
Molecular formula: C20H32Sn
Molecular weight: 391.18

Names & synonyms

tributyl(2-phenylethynyl)stannaneRefChem:899101628-194-8Tributyl(phenylethynyl)tin3757-88-8Tributyl(phenylethynyl)stannanePhenylethynyltri-n-butyltinStannane, tributyl(phenylethynyl)-PHENYLETHYNYLTRI-N-BUTYLTIN;TRIBUTYL(PHENYLETHYNYL)TIN;(phenylethynyl)tributyltin;Tri-n-butyl(phenylethynyl)tin, 95%;Tributyl(phenylethynyl)tin 95%;tributyl(2-phenylethynyl)Stannane(phenylethynyl)tri-n-butyltintributylstannylphenyl-acetyleneSCHEMBL375615

Show more names

SKL1023(phenylethynyl)tributyltinTributyl(phenylethynyl)tin 95%Tri-n-butyl(phenylethynyl)tin, 95%Tributyl(phenylethynyl)tin - [T5595]PHENYLETHYNYLTRI-N-BUTYLTIN ISO 9001：2015 REACH

tributyl-phenylethynyl-stannaneDTXSID30348129Tributyl(phenylethynyl)stannane #Tributyl(phenylethynyl)tin, 95%tri-n-butyl-phenylethynyl-stannaneAKOS005216804GS-6562DA-42607

Database identifiers

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 11
Heavy atoms: 21
Formal charge: 0
Complexity: 291

Physicochemical properties

Density: 1.116 g/mL · 1.116 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.532(lit.)
Flash point: 230 °F · >230 °F
storage temp.: -20 °C · Storage temp. -20°C
form: liquid
Specific Gravity: 1.116 · 1.116
Appearance: Colorless to light yellow Liquid
Hydrolytic Sensitivity: 2 · 2: reacts with aqueous acid
InChI: 1S/C8H5.3C4H9.Sn/c1-2-8-6-4-3-5-7-8;3*1-3-4-2;/h3-7H;3*1,3-4H2,2H3;
InChIKey: PYMPTRMDPJYTDF-UHFFFAOYSA-N
SMILES: CCCC[Sn](CCCC)(CCCC)C#Cc1ccccc1
UNSPSC Code: 12352103 · 12352103
Symbol(GHS): 6 · GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements: 301 · H301-H312-H315-H319-H360FD-H372-H410
Precautionary statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
tsca: No
ridadr: UN 2788 6.1/PG 3
risk_code: 21-25-36/38-48/23/25-50/53
Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS09
hazard_code: T,N
safety_code: 35-36/37/39-45-60-61
hazard_class: 6.1(b)
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301-H312-H315-H319-H360FD-H372-H410
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1

Chemistry & industry

Applications · 1 item

UsesTributyl(phenylethynyl)tin can be used:As a substrate in the palladium-catalyzed homocoupling oforganostannanes to yield biaryl compounds.To prepare various enynals, which are employed in the synthesis of substituted benzene derivatives catalyzed by nickel.In one of the key synthetic steps for the preparation of β-alkynylcorroles.