1-methyl-2-(tributylstannyl)-1H-pyrrole
Basic information
- CAS
118486-97-8- Standard SMILES
CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cccn1C- InChIKey
DINAKCGOEKXDTP-UHFFFAOYSA-N- Molecular formula
- C17H33NSn
- Average molar mass
- 370.2 g/mol
- Monoisotopic mass
- 371.16349476
Names & identifiers
- Preferred name
- 1-methyl-2-(tributylstannyl)-1H-pyrrole
- IUPAC
- tributyl-(1-methylpyrrol-2-yl)stannane
- English name
- 1-Methyl-2-(tributylstannyl)-1H-pyrrole
- Molecular formula
- C17H33NSn
- Molecular weight
- 370.16
Names & synonyms
1-methyl-2-(tributylstannyl)-1h-pyrroleRefChem:434022624-775-5118486-97-81-Methyl-2-(tributylstannyl)pyrroleTributyl-(1-methylpyrrol-2-yl)stannane1-METHYL-2-(TRI-N-BUTYLSTANNYL)PYRROLE1-methyl-2-tributylstannylpyrrole1H-Pyrrole,1-methyl-2-(tributylstannyl)-(1-Methylpyrrol-2-yl)tributyltinSCHEMBL203858Tributylstannyl-1-methylpyrrole
Show more names
SKL513(1-Methylpyrrol-2-yl)-tributylzinn2-(TRIBUTYLSTANNYL)-1-METHYLPYRROLEN-METHYL-2-(TRIBUTYLSTANNYL)PYRROLE1-N-METHYL-2-(TRIBUTYLSTANNYL)PYRROLETributyl(N-methylpyrrol-2-yl)stannane
2-tributylstannyl-1-methylpyrroleDTXSID00377709DINAKCGOEKXDTP-UHFFFAOYSA-N2-tributylstarinyl-1-methylpyrroleTEA486971-methyl-2-tri-n-butylstannylpyrroleAKOS015843035N-methyl-2-tributylstannyl-1H-pyrrole
Database identifiers
- CAS
118486-97-8- PubChem CID
- 2769397
- DTXSID
DTXSID00377709- EC Number
- 624-775-5
- Nikkaji
- J1.366.885J
Properties
Computed structural properties
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 376.3 · 376.3±34.0 °C(Predicted)
- Density
- 1.1223 g/mL · 1.1223 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.5107
- Flash point
- 98 °C · 98 °C
- storage temp.
- -20 °C · -20°C
- solubility
- Not miscible or difficult to mix.
- pka
- -2.77 · -2.77±0.70(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C5H6N.3C4H9.Sn/c1-6-4-2-3-5-6;3*1-3-4-2;/h2-4H,1H3;3*1,3-4H2,2H3;
- InChIKey
- DINAKCGOEKXDTP-UHFFFAOYSA-N
- SMILES
- CCCC[Sn](CCCC)(CCCC)c1cccn1C
- CAS DataBase Reference
- 118486 · 118486-97-8
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
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 (97.8%): 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 46 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 (97.8%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 2788 6.1/PG 2
- hs_code
- 29321900
- risk_code
- 21-25-36/38-48/23/25-50/53
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- hazard_code
- T,Xi,N
- safety_code
- 26-28-36/37-45-60-61
- hazard_class
- IRRITANT, AIR SENSITIVE, MOISTURE SENSITIVE, KEEP COLD
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- 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
UsesIt is employed as intermediate for pharmaceutical.
Uses1-Methyl-2-(tributylstannyl)pyrrole can be used as a reactant to prepare: Bithienylpyrrole derivatives through a Stille coupling reaction with bithienyl bromides in the presence of Pd catalyst. Di(bisthienyl)-o-carborane (DBTC) by reacting with 5,5′-dibromo-o-carboranyl-bisthiophenes using Pd catalyst. DBTC is electropolymerized to produce conducting polymers. Poly(Py-BTz-Py) (2-butyl-4,7-bis(1-methyl-1H-pyrrol-2-yl)-2H-benzo[d][1,2,3]triazole) via Stille coupling reaction. Poly(Py-BTz-Py) can be used as an organic photocatalyst for the formation C-C bond under visible light irradiation.
Related reactions
42 records
Compound notes
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