(1-Benzothiophen-2-yl)tributylstannane

HCID 2735461

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Basic information

CAS: 148961-88-0
Standard SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc2ccccc2s1
InChIKey: UJPVMOUQRNYNSA-UHFFFAOYSA-N
Molecular formula: C20H32SSn
Average molar mass: 423.2 g/mol
Monoisotopic mass: 424.12466672

Names & identifiers

Preferred name: (1-Benzothiophen-2-yl)tributylstannane
IUPAC: 1-benzothiophen-2-yl(tributyl)stannane
English name: 2-Tributylstannylbenzo[b]thiophene
Molecular formula: C20H32SSn
Molecular weight: 423.24

Names & synonyms

(1-benzothiophen-2-yl)tributylstannaneRefChem:392027683-415-5148961-88-02-Tributylstannylbenzo[b]thiopheneBenzo[b]thiophen-2-yltributylstannane1-benzothiophen-2-yl(tributyl)stannaneStannane, benzo[b]thien-2-yltributyl-(BENZO[B]THIOPHEN-2-YL)TRIBUTYLSTANNANE;BENZO[B]THIEN-2-YLTRIBUTYL-STANNANE;BENZOTHIOPHENE-2-TRIBUTYLSTANNANE;2-TRIBUTYLSTANNYLBENZO[B]THIOPHENE;2-(Tri-n-butylstannyl)benzo[b]thiophene, 95%;2-TRI-n-BUTYLSTANNYLBENZOTHIOPHENE2-benzothienyl tributyltinSCHEMBL6593302-(Tributylstannyl)benzothiophene

Show more names

SKL1018BENZOTHIOPHENE-2-TRIBUTYLSTANNANE2-Tributylstannylbenzo[b<2-tributylbenzenebenzo[B]thiophene2-TRI-n-BUTYLSTANNYLBENZOTHIOPHENEBENZO[B]THIEN-2-YLTRIBUTYL-STANNANE(BENZO[B]THIOPHEN-2-YL)TRIBUTYLSTANNANE

DTXSID80370738UJPVMOUQRNYNSA-UHFFFAOYSA-N1-benzothien-2-yl(tributyl)stannane(benzo[b]thiophen-2-yl)-tributyltinAKOS000278993GS-6468(benzo[b] -thiophen-2-yl)-tributyltin2-(tri-n-butylstannyl)benzo[b]thiophene

Database identifiers

CAS: 148961-88-0
PubChem CID: 2735461
DTXSID: DTXSID80370738
EC Number: 683-415-5
Nikkaji: J540.304I

Properties

Computed structural properties

Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 10
Heavy atoms: 22
Formal charge: 0
Complexity: 282

Physicochemical properties

Boiling point: 440.1 · 440.1±37.0 °C(Predicted)
Density: 1.184 g/mL · 1.184 g/mL at 25 °C
refractive index: 20 · n20/D 1.5637
storage temp.: 2 · 2-8°C
form: liquid
Appearance: Colorless to light yellow Liquid
InChI: 1S/C8H5S.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKey: UJPVMOUQRNYNSA-UHFFFAOYSA-N
SMILES: CCCC[Sn](CCCC)(CCCC)c1cc2ccccc2s1
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, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,T,N
Risk Statements: 21 · 21-25-36/38-48/23/25-50/53
Safety Statements: 35 · 35-36/37/39-45-60-61
RIDADR: 2788 · UN 2788 6.1/PG 3
WGK Germany: 3 · 3
HazardClass: IRRITANT, KEEP COLD, TOXIC
HS Code: 29349990 · 29349990
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 (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 39 reports by companies from 2 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

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2788 6.1/PG 3
hs_code: 29349990
risk_code: 21-25-36/38-48/23/25-50/53
Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS09
hazard_code: Xi,T,N
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
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