1-(Trimethylsiloxy)-1,3-butadiene

HCID 2724217

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 6651-43-0
표준 SMILES: C=CC=CO[Si](C)(C)C
InChIKey: UQGOYQLRRBTVFM-UHFFFAOYSA-N
분자식: C7H14OSi
평균 분자량: 142.27 g/mol
단동위원소 질량: 142.0813916

이름 및 식별자

우선 이름: 1-(Trimethylsiloxy)-1,3-butadiene
IUPAC: buta-1,3-dienoxy(trimethyl)silane
영어명: 1-Trimethylsiloxy-1,3-butadiene
분자식: C7H14OSi
분자량: 142.27

이름 및 동의어

6651-43-01-(Trimethylsiloxy)-1,3-butadieneDTXSID90369118RefChem:428840DTXCID00320154628-678-9buta-1,3-dienoxy(trimethyl)silane1-trimethylsilyloxy-1,3-butadienetrimethylsiloxybutadieneTrimethylsilyloxybutadieneSCHEMBL771487(buta-1,3-dien-1-yloxy)trimethylsilane

이름 더 보기

(E)-(buta-1,3-dien-1-yloxy)triMethylsilane1-Trimethylsiloxy-1,3-butadiene4-(Trimethylsiloxy)-1,3-butadiene(1,3-Butadienyloxy)trimethylsilaneTrimethyl(1,3-butadienyloxy)silaneTrimethylsilyl 1,3-butadienyl ether1,3-Butadienyl(trimethylsilyl) ether1-(TriMethylsiloxy)-1,3-butadiene 98%

1-[(Trimethylsilyl)Oxy]-1,3-ButadieneDB-054934[(Buta-1,3-dien-1-yl)oxy]tri(methyl)silane1-(Trimethylsiloxy)-1,3-butadiene, 6651-43-0, AC1MC4GR, ACMC-1B9J9, AGN-PC-006I5J, 227226_ALDRICH, CTK5C4839, buta-1,3-dienoxy(trimethyl)silane, Silane, (1,3-butadienyloxy)trimethyl-, KB-09702, Silane,(1,3-butadien-1-yloxy)trimethyl-

데이터베이스 식별자

CAS: 6651-43-0
PubChem CID: 2724217
DTXSID: DTXSID90369118
EC Number: 628-678-9

물성

구조 계산 물성

극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 111

물리화학적 성질

끓는 점: 131 °C · 131 °C(lit.)
밀도: 0.811 g/mL · 0.811 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.448(lit.)
인화점: 77 °F · 77 °F
저장 조건: 2 · 2-8°C
용해도: 에 용해됨 대부분의 표준 유기용매.
물리적 상태: liquid
Specific Gravity: 0.811 · 0.811
BRN: 1902024 · 1902024
InChI: 1S/C7H14OSi/c1-5-6-7-8-9(2,3)4/h5-7H,1H2,2-4H3/b7-6+
InChIKey: UQGOYQLRRBTVFM-VOTSOKGWSA-N
SMILES: C[Si](C)(C)O\C=C\C=C

화학적 성질

clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationSilane, (1,3-butadienyloxy)trimethyl-: Does not have an individual approval but may be used under an appropriate group standard

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

안전 데이터

wgk: 3
tsca: No
ridadr: UN 1993 3/PG 3
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
포장분류: III
위험 등급: 3.2
F 고인화성물질: 10-21
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도1-Trimethylsiloxy-1,3-butadiene is a diene used in the Diels-Alder reaction.

일반 설명Mechanism of Diels-Alder reaction between 1-(trimethylsiloxy)-1,3-butadiene and 4,6-dinitrobenzofuroxan has been studied using state-of-the-art computational methods.