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

HCID 2736683CAS 129034-70-4

基本情報

標準SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1c(OC(C)C)c(=O)c1=O
InChIKey: AMVLEBHYELFWJT-UHFFFAOYSA-N
分子式: C19H34O3Sn
平均分子量: 429.2 g/mol
単同位体質量: 430.152997

名称と識別子

優先名称: 3-Isopropoxy-4-(tri-n-butylstannyl)-3-cyclobutene-1,2-dione
IUPAC: 3-propan-2-yloxy-4-tributylstannylcyclobut-3-ene-1,2-dione
英語名: 3-Isopropoxy-4-(tributylstannyl)-1,2-cyclobutenedioneLiebeskind Reagent
分子式: C19H34O3Sn
分子量: 429.18

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 43.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 12
重原子数: 23
形式電荷: 0
複雑度: 430

物理化学的性質

沸点: 425.2 · 425.2±55.0 °C(Predicted)
水溶解度: 水にやや溶けにくい。

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)