基本情報
- CAS
25852-70-4- 標準SMILES
CCCCCCC(C)OC(=O)C[S][Sn]([CH2]CCC)([S]CC(=O)OC(C)CCCCCC)[S]CC(=O)OC(C)CCCCCC- InChIKey
BRMYOHUXFCDIHF-UHFFFAOYSA-K- 分子式
- C34H66O6S3Sn
- 平均分子量
- 785.8 g/mol
- 単同位体質量
- 786.304356
概要
Butyltin-tris(isooctylmercapto acetate) is a clear yellow liquid. (NTP, 1992)
名称と識別子
- 優先名称
- Butyltin tris(isooctylmercaptoacetate)
- IUPAC
- octan-2-yl 2-[butyl-bis[(2-octan-2-yloxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate
名称と別名
Butyltin tris(isooctyl mercaptoacetate)25852-70-4Butyltin tris(isooctylmercaptoacetate)CCRIS 4592EINECS 247-295-4UNII-I1RYR6E5J7Tin, butyl-, tris(isooctylthioglycollate)Stannane, butyltris(carboisooctoxymethylthio)-Stannane, n-butyltris(carboisooctoxymethylthio)-Stannane, butyltris(isooctyloxycarbonylmethylthio)-Butyltris(2-ethylhexyloxycarbonylmethylthio)stannaneStannane, butyltris((carboxymethyl)thio)-, triisooctyl ester
名称をさらに表示
RefChem:200018DTXSID6024703octan-2-yl 2-[butyl-bis[(2-octan-2-yloxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate
データベース識別子
- CAS
25852-70-4- PubChem CID
- 33185
物性
構造計算による物性
- 極性表面積
- 155 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 9
- 回転可能結合数
- 33
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 653
実験および物理化学的性質
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Physical DescriptionButyltin-tris(isooctylmercapto acetate) is a clear yellow liquid. (NTP, 1992)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory InformationChemical: Acetic acid, 2,2',2''-[(butylstannylidyne)tris(thio)]tris-,triisooctyl ester
Other Safety InformationIMAP assessments - Monobutyltin alkyl mercaptoacetates: Human health tier II assessment
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Skin contact may cause irritation or rashes.
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity AlertsAir-Reactive
Reactivity Profile
An organometallic. Strongly reactive with many other groups. Incompatible with acids and bases. Organometallics are good reducing agents and therefore incompatible with oxidizing agents. Often reactive with water to generate toxic or flammable gases.
Air and Water ReactionsSensitive to air. (NTP, 1992). Insoluble in water.
Hazard Classes and CategoriesAcute toxicity (ingestion) - category 4
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