CAS 121359-48-6 2-(Tributylstannyl)-1,3-thiazole (HCID 2763259)

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Basic information

CAS: 121359-48-6
Standard SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1nccs1
InChIKey: WUOFQGMXQCSPPV-UHFFFAOYSA-N
Molecular formula: C15H29NSSn
Average molar mass: 374.2 g/mol
Monoisotopic mass: 375.10426563

Names & identifiers

Preferred name: 2-(Tributylstannyl)-1,3-thiazole
IUPAC: tributyl(1,3-thiazol-2-yl)stannane
English name: 2-(TRIBUTYLSTANNYL)THIAZOLE
Molecular formula: C15H29NSSn
Molecular weight: 374.17

Names & synonyms

2-(Tributylstannyl)-1,3-thiazoleRefChem:462436626-624-9121359-48-62-(Tributylstannyl)thiazole2-Tributylstannylthiazoletributyl(1,3-thiazol-2-yl)stannaneTributyl-2-thiazolylstannaneThiazole,2-(tributylstannyl)-MFCD01319057tributylstannylthiazoletributyl(thiazol-2-yl)stannane

Show more names

TZ-SnSKL010SKL9782-TributylstaylthiazoleClomethiazolum Impurity 132-Tributylstannanyl-thiazole

THIAZOLE, 2-(TRIBUTYLSTANNYL)-tributyl-2-thiazolyltin2-(Tributyltin)thiazole(2-thiazolyl)tributyltin2-tributylstannyl-thiazolthiazol-2-yl tributyltintributyl(2-thiazolyl)tin2-tributylstannyl thiazole

Database identifiers

CAS: 121359-48-6
PubChem CID: 2763259
DTXSID: DTXSID10376849
EC Number: 626-624-9
Nikkaji: J1.082.417F

Properties

Computed structural properties

Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 18
Formal charge: 0
Complexity: 189

Physicochemical properties

Melting point: 224 · 224-225℃
Boiling point: 307 · 307-309 °C(lit.)
Density: 1.19 g/mL · 1.1900 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5200(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Not miscible or difficult to mix.
pka: 2.73 · 2.73±0.10(Predicted)
form: liquid
color: Clear, almost colourless
InChI: InChI=1S/3C4H9.C3H2NS.Sn/c3*1-3-4-2;1-2-5-3-4-1;/h3*1,3-4H2,2H3;1-2H;
InChIKey: WUOFQGMXQCSPPV-UHFFFAOYSA-N
SMILES: S1C=CN=C1[Sn](CCCC)(CCCC)CCCC
UNSPSC Code: 12352103 · 12352103
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS08,GHS09
Signal word

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (98%): 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (98%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2788 6.1/PG 2
hs_code: 2934100090
risk_code: 21-25-36/38-48/23/25-50/53
Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS09
hazard_code: T,N,Xi
safety_code: 35-36/37/39-45-60-61
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
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