4-[(트리메틸실일)에티닐]벤즈알데히드

4-(Trimethylsilylethynyl)benzaldehyde

HCID 2771643

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 77123-57-0
표준 SMILES: C[Si](C)(C)C#Cc1ccc(C=O)cc1
InChIKey: UZQDUXAJFTWMDT-UHFFFAOYSA-N
분자식: C12H14OSi
평균 분자량: 202.32 g/mol
단동위원소 질량: 202.0813916

이름 및 식별자

우선 이름: 4-(Trimethylsilylethynyl)benzaldehyde
IUPAC: 4-(2-trimethylsilylethynyl)benzaldehyde
현지명: 4-[(트리메틸실일)에티닐]벤즈알데히드
영어명: 4-(Trimethylsilyl)ethynylbenzaldehyde
분자식: C12H14OSi
분자량: 202.32

이름 및 동의어

4-(trimethylsilylethynyl)benzaldehydeRefChem:517219878-916-277123-57-04-[(Trimethylsilyl)ethynyl]benzaldehyde4-((Trimethylsilyl)ethynyl)benzaldehyde4-(Trimethylsilyl)ethynylbenzaldehyde4-[2-(trimethylsilyl)ethynyl]benzaldehyde4-(2-trimethylsilylethynyl)benzaldehydeMFCD02093765DTXSID90377990p-trimethylsilylethynylbenzaldehyde

이름 더 보기

4-[(트리메틸실일)에티닐]벤즈알데히드4-(트리메틸실릴)에티닐벤즈알데히드DK9024-[(TriMethylsilyl)ethynyl]benzaldehy4-[(trimethylsilyl)ethynyl]bezaldehyde4-[(Trimethysilyl)-ethynyl]benzaldehyde4-[(TriMethylsilyl)ethynyl]benzaldehyde 97%Benzaldehyde, 4-[2-(trimethylsilyl)ethynyl]-4-((Trimethylsilyl)ethynyl)benzaldehyde - [T55948]

4-trimethylsilanylethynyl-benzaldehydeSY081454T38274-(2-(TRIMETHYLSILYL)ETHYNYL) BENZALDEHYDE4-(2-(trimethylsilyl)ethynyl)benzaldehyde4-trimethylsiBenzaldehyde, 4-[(trimethylsilyl)ethynyl]-SCHEMBL701214

데이터베이스 식별자

CAS: 77123-57-0
PubChem CID: 2771643
DTXSID: DTXSID90377990
EC Number: 878-916-2
Nikkaji: J1.067.536G

물성

구조 계산 물성

극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 255

물리화학적 성질

녹는점: 66 · 66-70 °C(lit.)
끓는 점: 262.1 · 262.1±32.0 °C(Predicted)
밀도: 0.98 · 0.98±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
InChI: 1S/C12H14OSi/c1-14(2,3)9-8-11-4-6-12(10-13)7-5-11/h4-7,10H,1-3H3
InChIKey: UZQDUXAJFTWMDT-UHFFFAOYSA-N
SMILES: C[Si](C)(C)C#Cc1ccc(C=O)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2931900090
hazard_code: T
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도4-(Trimethylsilyl)ethynylbenzaldehyde is a useful reactant for the synthesis of acetylene-substituted naphthalene diimides in polar solvents.

일반 설명4-[(Trimethylsilyl)ethynyl]benzaldehyde can be synthesized by reacting 4-bromobenzaldehyde and triphenylphosphine in anhydrous triethylamine with ethynyltrimethylsilane and then with palladium(II) acetate under argon. It can also be prepared by Sonogashira coupling reaction between 4-bromobenzaldehyde and (trimethylsilyl) ethynyl.