2-(트리메틸실록시)-1,3-사이클로헥사디엔

2-(트리메틸실록시)-1,3-사이클로헥사디엔 · SKL292 · 2-(TRIMETHYLSILOXY)-1,3-CYCLOHEXADIENE · 2-(TRIMETHYLSILYLOXY)-1,3-CYCLOHEXADIENE · 1-(Trimethylsilyloxy)-3,4-dihydrobenzene · 2-(Trimethylsilyloxy)cyclohexa-1,3-diene · 1,5-Cyclohexadienyl(trimethylsilyl) ether · 2-(Trimethylsiloxy)-1,3-cyclohexadiene 95%

https://huagongshe.com/ko/chemical/4095656

식별자 및 물리적 특성

CAS No.	54781-19-0
분자식	C9H16OSi
평균 분자량	168.31 g/mol
단동위원소 질량	168.09704166 g/mol
SMILES	C[Si](C)(C)OC1=CCCC=C1
InChIKey	WPIRVUXAMPRMAY-UHFFFAOYSA-N
PubChem CID	4095656
EC No.	627-751-2
DTXSID	DTXSID30399257
현지명	2-(트리메틸실록시)-1,3-사이클로헥사디엔

화학 및 물리적 성질

극성 표면적	9.2
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	2
무거운 원자 수	11
형식 전하	0
복잡도	186
녹는점	242-246 °C
끓는 점	65 °C7 mm Hg(lit.)
밀도	0.899 g/mL at 25 °C(lit.)
굴절률	n20/D 1.462(lit.)
인화점	117 °F
저장 조건	2-8°C
물리적 상태	투명한 액체
색상	무색 내지 거의 무색
BRN	2079140
InChI	1S/C9H16OSi/c1-11(2,3)10-9-7-5-4-6-8-9/h5,7-8H,4,6H2,1-3H3
InChIKey	WPIRVUXAMPRMAY-UHFFFAOYSA-N
SMILES	C[Si](C)(C)OC1=CCCC=C1

안전 및 규제

GHS 분류	WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.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.
Hazard Classes and Categories	Flam. Liq. 3 (100%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN 1993 3/PG 3
관세 코드	2931.90.9010
위험 문구(R)	10
안전 문구(S)	16
포장분류	III
위험 등급	3Flam. Liq. 3
F 고인화성물질	10-21
저장 분류	3 - Flammable liquids

용도

2-(Trimethylsiloxy)-1,3-cyclohexadiene may be used as a diene in the synthesis of isoquinuclidinone 2-aza[2.2.2]octa-3,5-dione by reacting with p-toluenesulfonyl cyanide.

일반 설명

2-(Trimethylsiloxy)-1,3-cyclohexadiene ((cyclohexa-1,5-dien-1-yloxy)trimethylsilane) is silyl enol ether of cyclohexenone. The Diels–Alder reactions with dienophiles α-acetoxyacrylonitrile, acrylonitrile and α-chloroacrylonitrile has been studied.