기본 정보
- CAS
25852-70-4- 표준 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- 분자식
- C34H66O6S3Sn
- 평균 분자량
- 785.8 g/mol
- 단동위원소 질량
- 786.304356
개요
Butyltin-tris(isooctylmercapto acetate) is a clear yellow liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Butyltin tris(isooctylmercaptoacetate)
- IUPAC
- octan-2-yl 2-[butyl-bis[(2-octan-2-yloxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate
이름 및 동의어
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
이름 더 보기
RefChem:200018DTXSID6024703octan-2-yl 2-[butyl-bis[(2-octan-2-yloxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate
데이터베이스 식별자
- CAS
25852-70-4- PubChem CID
- 33185
물성
구조 계산 물성
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 33
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 653
실험 및 물리화학적 성질
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Physical DescriptionButyltin-tris(isooctylmercapto acetate) is a clear yellow liquid. (NTP, 1992)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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)
유해성 정보
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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