2-(트리메틸실록시)-1,3-사이클로헥사디엔

2-(Trimethylsiloxy)-1,3-cyclohexadiene

HCID 4095656CAS 54781-19-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C[Si](C)(C)OC1=CCCC=C1
InChIKey: WPIRVUXAMPRMAY-UHFFFAOYSA-N
분자식: C9H16OSi
평균 분자량: 168.31 g/mol
단동위원소 질량: 168.09704166

이름 및 식별자

우선 이름: 2-(Trimethylsiloxy)-1,3-cyclohexadiene
IUPAC: cyclohexa-1,5-dien-1-yloxy(trimethyl)silane
현지명: 2-(트리메틸실록시)-1,3-사이클로헥사디엔
영어명: 2-(TRIMETHYLSILOXY)-1,3-CYCLOHEXADIENE
분자식: C9H16OSi
분자량: 168.31

이름 및 동의어

2-(Trimethylsiloxy)-1,3-cyclohexadieneRefChem:462630627-751-254781-19-02-(Trimethylsilyloxy)-1,3-cyclohexadienecyclohexa-1,5-dien-1-yloxy(trimethyl)silane(cyclohexa-1,5-dien-1-yloxy)trimethylsilaneMFCD002742022-[(trimethylsilyl)oxy]-1,3-cyclohexadiene2-trimethylsiloxy-1,3-cyclohexadieneSilane, (1,5-cyclohexadien-1-yloxy)trimethyl-1-(Trimethylsilyloxy)-3,4-dihydrobenzene

이름 더 보기

2-(트리메틸실록시)-1,3-사이클로헥사디엔SKL2922-(Trimethylsilyloxy)cyclohexa-1,3-diene1,5-Cyclohexadienyl(trimethylsilyl) ether2-(Trimethylsiloxy)-1,3-cyclohexadiene 95%2-(trimethylsiliconoxy)-1，3-cyclohexyldiene(1,5-Cyclohexadien-1-yloxy)(trimethyl)silane

2-trimethylsilyloxy-1,3-cyclohexadieneQ63395632cyclohexaC9H16OSiSCHEMBL449127DTXSID30399257WPIRVUXAMPRMAY-UHFFFAOYSA-NAKOS015839977

데이터베이스 식별자

CAS: 54781-19-0
PubChem CID: 4095656
DTXSID: DTXSID30399257
EC Number: 627-751-2
Nikkaji: J46.587I

물성

구조 계산 물성

극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 186

물리화학적 성질

녹는점: 242 · 242-246 °C
끓는 점: 65 °C7 · 65 °C7 mm Hg(lit.)
밀도: 0.899 g/mL · 0.899 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.462(lit.)
인화점: 117 °F · 117 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
BRN: 2079140 · 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

GHS Classification · 5건

Warning

H226 (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.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 2931.90.9010
risk_code: 10
safety_code: 16
포장분류: III
위험 등급: 3
F 고인화성물질: 10-21
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도2-(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 설명2-(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.