CAS 17997-47-6 2-(Tributylstannyl)pyridine (HCID 607784)

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Basic information

CAS: 17997-47-6
Standard SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccccn1
InChIKey: GYUURHMITDQTRU-UHFFFAOYSA-N
Molecular formula: C17H31NSn
Average molar mass: 368.1 g/mol
Monoisotopic mass: 369.14784469

Names & identifiers

Preferred name: 2-(Tributylstannyl)pyridine
IUPAC: tributyl(pyridin-2-yl)stannane
English name: 2-(Tributylstannyl)pyridine
Molecular formula: C17H31NSn
Molecular weight: 368.14

Names & synonyms

2-(Tributylstannyl)pyridine17997-47-6DTXSID40345886RefChem:462441DTXCID30296959628-762-52-Tri-n-butylstannylpyridinePyridine, 2-(tributylstannyl)-tributyl(pyridin-2-yl)stannane2-TRIBUTYLSTANNYLPYRIDINE(2-PYRIDINYL)TRIBUTYLSTANNANEMFCD00052052

Show more names

stannyLSKL9642-(Tri-n-butyLTributylpyridyltin2-PYRIDYLTRI-N-BUTYLTIN

2-PyridyltributyltinTributyl(2-pyridyl)tin2-(1,1,1-tributylstannyl)pyridinetri-n-butyl(2-pyridyl)tinC17H31NSn2-tributylstannyl pyridine(2-pyridyl)tributylstannanetributylstannylpyridine

Database identifiers

CAS: 17997-47-6
PubChem CID: 607784
DTXSID: DTXSID40345886
EC Number: 628-762-5
Nikkaji: J706.369E

Properties

Computed structural properties

Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 10
Heavy atoms: 19
Formal charge: 0
Complexity: 196

Physicochemical properties

Melting point: 132 · 132-135 °C
Boiling point: 134 °C · 134 °C
Density: 1.15 · 1.15
refractive index: 1.513 · 1.5130
Flash point: 110 °C · >110°C
storage temp.: -20 °C · -20°C
pka: 5.21 · 5.21±0.19(Predicted)
form: liquid
Specific Gravity: 1.142 · 1.142
color: Clear, yellow
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
BRN: 479329 · 479329
Exposure limits: 0.1 mg/m3; · ACGIH: TWA 0.1 mg/m3; STEL 0.2 mg/m3 (Skin)NIOSH: IDLH 25 mg/m3; TWA 0.1 mg/m3
InChI: 1S/C5H4N.3C4H9.Sn/c1-2-4-6-5-3-1;3*1-3-4-2;/h1-4H;3*1,3-4H2,2H3;
InChIKey: GYUURHMITDQTRU-UHFFFAOYSA-N
SMILES: CCCC[Sn](CCCC)(CCCC)c1ccccn1

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (86%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P303+P361+P353, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (86%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: No
ridadr: 2788
hs_code: 29333990
risk_code: 21-25-36/38-48/23/25-50/53-10
Signal word: Danger
Symbol(GHS): GHS02,GHS06,GHS08,GHS09
hazard_code: T,Xi,N
hazard_note: Toxic
safety_code: 35-36/37/39-45-61-60
hazard_class: 6.1
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226-H301-H312-H315-H319-H360FD-H372-H410
Limited Quantities

Chemistry & industry

Applications

UsesBuilding block in an efficient, palladium-catalyzed synthesis of 2-pyridylazaazulene, a bidentate ligand showing pH and cationic-metal dependent emission spectra.