2-(Trimethylsilylmethyl)allyl acetate

HCID 4428347CAS 72047-94-0

기본 정보

표준 SMILES: C=C(COC(C)=O)C[Si](C)(C)C
InChIKey: IKQWABMHZKGCLX-UHFFFAOYSA-N
분자식: C9H18O2Si
평균 분자량: 186.32 g/mol
단동위원소 질량: 186.10760635

이름 및 식별자

우선 이름: 2-(Trimethylsilylmethyl)allyl acetate
IUPAC: 2-(trimethylsilylmethyl)prop-2-enyl acetate
영어명: 2-(Trimethylsilylmethyl)allyl acetate
분자식: C9H18O2Si
분자량: 186.32

이름 및 동의어

72047-94-02-(Trimethylsilylmethyl)allyl acetateDTXSID80403196RefChem:254973DTXCID00354050627-534-22-((Trimethylsilyl)methyl)allyl acetate2-(trimethylsilylmethyl)prop-2-enyl Acetate2-[(Acetoxymethyl)allyl]trimethylsilaneMFCD000751702-Acetoxymethyl-3-(trimethylsilyl)propene2-(Acetoxymethyl)-3-(trimethylsilyl)propene

이름 더 보기

DK875SKL104DKSI084DKFELEX02312-(Acetoxymethyl)allyltrimethyliane2-(ACETOXYMETHYL)ALLYTRIMETHYLSILANE(2-(Ethoxymethyl)allyl)trimethylsilane[2-(ACETOXYMETHYL)ALLYL]TRIMETHYLSILANE

2-[(trimethylsilyl)methyl]prop-2-en-1-yl acetate2-[(Trimethylsilyl)methyl]allyl Acetate2-(TRIMETHYLSILYLMETHYL)ALLYLACETATE2-[(trimethylsilyl)methyl]-2-propen-1-yl acetatetridecaborondiphosphide2-((trimethylsilyl)methyl)-2-propen-1-yl acetate2-((trimethylsilyl)methyl)prop-2-en-1-yl acetate2-(acetoxymethyl)-3-(trimethylsilyl)-1-propene

데이터베이스 식별자

CAS: 72047-94-0
PubChem CID: 4428347
DTXSID: DTXSID80403196
EC Number: 627-534-2
Nikkaji: J582.191F

물성

구조 계산 물성

극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 179

물리화학적 성질

끓는 점: 95 °C7 · 95 °C7 mm Hg(lit.)
밀도: 0.877 g/mL · 0.877 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.440(lit.)
인화점: 160 °F · 160 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 용해도 대부분의 유기용매.
물리적 상태: 액체
색상: 무색의
수용성: 물과 반응
BRN: 1933657 · 1933657
InChI: InChI=1S/C9H18O2Si/c1-8(6-11-9(2)10)7-12(3,4)5/h1,6-7H2,2-5H3
InChIKey: IKQWABMHZKGCLX-UHFFFAOYSA-N
SMILES: C(OC(=O)C)C(C[Si](C)(C)C)=C

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29319090
risk_code: 36/37/38-14
hazard_code: Xi
safety_code: 26-36/37/39-37/39

화학 및 산업

응용 분야

용도precursor for palladium trimethylenemethane cycloaddition reactions.

제조 방법

commercially available but expensive. Several preparations of (1) or the precursor alcohol (2) have been reported. The simplest involves the direct silylation of methallyl alcohol (eq 1).