Basic information
- CAS
994-89-8- Standard SMILES
C#[C][Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC- InChIKey
YEMJHNYABQHWHL-UHFFFAOYSA-N- Molecular formula
- C14H28Sn
- Average molar mass
- 315.08 g/mol
- Monoisotopic mass
- 316.1212956
Names & identifiers
- Preferred name
- Ethynyltributyltin
- IUPAC
- tributyl(ethynyl)stannane
- English name
- TRIBUTYLSTANNYLACETYLENE
- Molecular formula
- C14H28Sn
- Molecular weight
- 315.08
Names & synonyms
EthynyltributyltinRefChem:899143Tributylstannylacetylene994-89-8tributyl(ethynyl)stannaneEthynyltri-n-ButyltinTributylethynylstannaneStannane, tributylethynyl-TributylethynyltinTributylethynyl tintributyl(ethynyl)tinC14H28Sn
Show more names
ETHYNYLTRIBUTYLSTANNANEEthynyltri-n-butylstannane~Tri-n-butyl(ethynyl)tin~Tri-n-butylstannylacetyleneSKL1071NSC 203201ETHYNYLTRIBUTYLINethenyltributyltin
MFCD00009420tributylstannylethynetri-n-butylethynyltinethynyl tri-n-butyltintri-n-butylethynyl tintributyl-ethynylstannanetributylethynyl stannanetributylstannyl acetylene
Database identifiers
- CAS
994-89-8- PubChem CID
- 621176
- DTXSID
DTXSID90347411- EC Number
- 628-819-4
- Nikkaji
- J129.180G
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 70 °C0.2 · 70 °C0.2 mm Hg(lit.)
- Density
- 1.089 g/mL · 1.089 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.476(lit.)
- Flash point
- 165 °F · 165 °F
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- form
- liquid
- Specific Gravity
- 1.089 · 1.089
- Appearance
- Colorless to light yellow Liquid
- Water Solubility
- Not miscible or difficult to mix with water.
- Sensitive
- Moisture Sensitive
- BRN
- 3537659 · 3537659
- InChI
- InChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H;
- InChIKey
- YEMJHNYABQHWHL-UHFFFAOYSA-N
- SMILES
- [Sn](CCCC)(CCCC)(CCCC)C#C
- CAS DataBase Reference
- 994 · 994-89-8(CAS DataBase Reference)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, 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 48 reports by companies from 5 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
- F
- 21
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- No
- ridadr
- UN 2788 6.1/PG 3
- hs_code
- 29319090
- risk_code
- 21-25-36/38-48/23/25-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_code
- T,N,Xn
- safety_code
- 35-36/37/39-45-60-61
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
Chemistry & industry
Applications
UsesUsed to prepare vinylstannanes and stannylisoxazoles. Ethynylation reagent for azaaromatics.
UsesEthynyltributylstannane can be used as a reactant to prepare: Terminal arylacetylene derivatives by Stille coupling reaction with aryl halides in the presence of palladium catalyst. 1,4-bis(tributylstannyl)but-1-en-3-yne by dimerization using a metal complex having bulky ligand catalyst system. Isoquinolone derivatives by reacting with benzotriazinones via denitrogenative insertion in the presence of nickel catalyst. Enyne key intermediates in the total synthesis of (-)-acutumine and (-)-dechloroacutumine.
Upstream & downstream products
Downstream products
Suppliers100 total
江西益众化工有限公司15307925109 15350027073 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
58 records
Compound notes
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