1-methyl-2-(tributylstannyl)-1H-pyrrole (HCID 2769397)

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 Å²
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
Hazard statements: 301 · H301-H312-H315-H319-H360FD-H372-H410
Precautionary statements: 202 · P202-P273-P280-P301+P310-P302+P352+P312-P305+P351+P338
PPE: Eyeshields, Faceshields, Gloves
Hazard Codes: T,Xi,N
Risk Statements: 21 · 21-25-36/38-48/23/25-50/53
Safety Statements: 26 · 26-28-36/37-45-60-61
RIDADR: 2788 · UN 2788 6.1/PG 2
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
HS Code: 29321900 · 29321900
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralAcute · Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1

Safety & regulation

GHS classification

GHS Classification · 4 items

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
Precautionary statements: P202-P273-P280-P301+P310-P302+P352+P312-P305+P351+P338

Chemistry & industry

Applications · 2 items

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.