3-Isopropoxy-4-(tri-n-butylstannyl)-3-cyclobutene-1,2-dione

HCID 2736683

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Basic information

CAS: 129034-70-4
Standard SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1c(OC(C)C)c(=O)c1=O
InChIKey: AMVLEBHYELFWJT-UHFFFAOYSA-N
Molecular formula: C19H34O3Sn
Average molar mass: 429.2 g/mol
Monoisotopic mass: 430.152997

Names & identifiers

Preferred name: 3-Isopropoxy-4-(tri-n-butylstannyl)-3-cyclobutene-1,2-dione
IUPAC: 3-propan-2-yloxy-4-tributylstannylcyclobut-3-ene-1,2-dione
English name: 3-Isopropoxy-4-(tributylstannyl)-1,2-cyclobutenedioneLiebeskind Reagent
Molecular formula: C19H34O3Sn
Molecular weight: 429.18

Names & synonyms

3-isopropoxy-4-(tri-n-butylstannyl)-3-cyclobutene-1,2-dioneRefChem:502840677-926-2129034-70-43-Isopropoxy-4-(tributylstannyl)-1,2-cyclobutenedione3-Cyclobutene-1,2-dione, 3-(1-methylethoxy)-4-(tributylstannyl)-3-propan-2-yloxy-4-tributylstannylcyclobut-3-ene-1,2-dione3-(propan-2-yloxy)-4-(tributylstannyl)cyclobut-3-ene-1,2-dione3-Isopropoxy-4-tributylstannyl-1,2-cyclobutenedione3-Isopropoxy-4-(tributylstannyl)-1,2-cyclobutenedioneLiebeskind ReagentAMVLEBHYELFWJT-UHFFFAOYSA-NSCHEMBL2210513

Show more names

SKL9913-Isopropoxy-4-(tributylstannyl)-12-cyclobutenedioneLiebeskind Reagent3-Isopropoxy-4-(tributylstannyl)cyclobut-3-ene-1,2-dione3-Isopropoxy-4-(tributylstannyl)-1,2-cyclobutenedione - I28553-(1-Methylethoxy)-4-(tributylstannyl)-3-cyclobutene-1,2-dione3-Isopropoxy-4-(tri-n-butylstannyl)-3-cyclobutene-1,2-dione,97%3-Isopropoxy-4-(tri-n-butylstannyl)-3-cyclobutene-1,2-dione, 97%4-(1-methylethoxy)-3-(tri-n-butylstannyl)cyclobut-3-ene-1,2-dione

DTXSID60371526AKOS015838532AS-71821DS-0011893-isopropoxy-4-tributylstannylcyclobut-3-ene-1,2-dione3-(Tri-n-butylstannyl)-4-isopropoxy-3-cyclobutene-1,2-dione3-isopropoxy-4-(tri-n-butyl-stannyl)-3-cyclobutene-1,2-dione3-(1-methylethoxy)-4-(tri-n-butylstannyl)-3-cyclobutene-1,2-dione

Database identifiers

CAS: 129034-70-4
PubChem CID: 2736683
DTXSID: DTXSID60371526
EC Number: 677-926-2
Nikkaji: J337.507B

Properties

Computed structural properties

Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 12
Heavy atoms: 23
Formal charge: 0
Complexity: 430

Physicochemical properties

Boiling point: 425.2 · 425.2±55.0 °C(Predicted)
Water Solubility: Sparingly soluble in water.
Symbol(GHS): 6 · GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements: 301 · H301-H312-H315-H319-H372-H400-H410
Precautionary statements: 273 · P273-P280-P309-P310-P501a
HazardClass: 6.1 · 6.1
HS Code: 2931200000 · 2931200000

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H360FD (87.5%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity]；H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P260, P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P317, P318, 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 32 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Repr. 1B (87.5%)；STOT RE 1 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)