Allyltributylstannane

HCID 90628CAS 24850-33-7

기본 정보

표준 SMILES: C=C[CH2][Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC
InChIKey: YLGRTLMDMVAFNI-UHFFFAOYSA-N
분자식: C15H32Sn
평균 분자량: 331.12 g/mol
단동위원소 질량: 332.15259572

이름 및 식별자

우선 이름: Allyltributylstannane
IUPAC: tributyl(prop-2-enyl)stannane
영어명: Allyltributyltin
분자식: C15H32Sn
분자량: 331.12

이름 및 동의어

AllyltributyltinAllyltributylstannane24850-33-7UNII-AOR8OD4103AOR8OD4103Tributyl-2-propen-1-ylstannaneEINECS 246-494-3ALLYLTRIBUTYLSTANNANE [MI]DTXSID50179553RefChem:110920DTXCID10102044246-494-3

이름 더 보기

Tributylallylstannaneallyltri-n-butylstannane2-PropenyltributylstannaneTRIBUTYL-2-PROPENYLSTANNANESKL1093Allytri-N-Butyltin

YLGRTLMDMVAFNI-UHFFFAOYSA-NAllyltri-n-ButyltinStannane, tributyl-2-propenyl-Allyl(tributyl)stannanetributyl(prop-2-en-1-yl)stannanetributyl(prop-2-enyl)stannaneStannane, tributyl-2-propen-1-yl-allyl tributylstannane

데이터베이스 식별자

CAS: 24850-33-7
PubChem CID: 90628
DTXSID: DTXSID50179553
UNII: AOR8OD4103
EC Number: 246-494-3
Nikkaji: J236.685A

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 11
무거운 원자 수: 16
형식 전하: 0
복잡도: 141

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 134 · 134-135 °C
끓는 점: 88 · 88-92 °C0.2 mm Hg(lit.)
밀도: 1.068 g/mL · 1.068 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.486(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
색상: 무색의
Specific Gravity: 1.068 · 1.068
수용성: 물과 섞이지 않습니다.
BRN: 3588340 · 3588340
안정성: 공기에 민감한
InChI: 1S/3C4H9.C3H5.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;3H,1-2H2;
InChIKey: YLGRTLMDMVAFNI-UHFFFAOYSA-N
SMILES: CCCC[Sn](CCCC)(CCCC)CC=C
NIST: Allyltributyltin(24850-33-7)

화학적 성질

CLEAR COLOURLESS LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStannane, tributyl-2-propenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
tsca: No
ridadr: UN 2788 6.1/PG 2
HS 번호: 29319019
risk_code: 21-25-36/38-48/23/25-50/53-23/24/25
hazard_code: T,N
safety_code: 35-36/37/39-45-60-61-28-27-26
포장분류: II
위험 등급: 6.1
F 고인화성물질: 13
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도Allylation reagent for aldehydes catalyzed by chiral Lewis acids1,2 and ytterbium(III) trifluoromethanesulfonate (cat. no. 430595).3 Undergoes tetrakis(triphenylphosphine)palladium(0) (cat. no. 216666) catalyzed coupling with iodoquinones4 and allyl acetates.5,6Efficient allylation of aldehydes leading to homoallylic alcohols with trichloro-1,3,5-triazene.7