(4-Bromophenylethynyl)trimethylsilane

HCID 4226980CAS 16116-78-2

기본 정보

표준 SMILES: C[Si](C)(C)C#Cc1ccc(Br)cc1
InChIKey: RNMSGCJGNJYDNS-UHFFFAOYSA-N
분자식: C11H13BrSi
평균 분자량: 253.21 g/mol
단동위원소 질량: 251.99698905

이름 및 식별자

우선 이름: (4-Bromophenylethynyl)trimethylsilane
IUPAC: 2-(4-bromophenyl)ethynyl-trimethylsilane
영어명: (4-Bromophenylethynyl)trimethylsilane
분자식: C11H13BrSi
분자량: 253.21

이름 및 동의어

16116-78-2(4-Bromophenylethynyl)trimethylsilaneDTXSID30401021RefChem:208650DTXCID90351876835-531-4((4-Bromophenyl)ethynyl)trimethylsilane2-(4-bromophenyl)ethynyl-trimethylsilaneC11H13BrSiMFCD018635562-(4-bromophenyl)ethynyl-trimethyl-silane[(4-bromophenyl)ethynyl]trimethylsilane

이름 더 보기

1-Bromo-4-[2-(trimethylsilyl)ethynyl]benzeneDK567(4-Bromophenyl)Trimethylsilylacetylene(2-(4-bromophenyl)ethynyl)trimethylsilane(4-BroMophenylethynyl)triMethylsilane 98%(4-BROMOPHENYLETHYNYL)TRIMETHYLSILANE, 9 8%((4-Bromophenyl)ethynyl)trimethylsilane - [B54598]

BENZENE, 1-BROMO-4-[2-(TRIMETHYLSILYL)ETHYNYL]-(4-bromo-phenylethynyl)-trimethyl-silaneSCHEMBL613688p-bromophenylethynyl trimethylsilane4-trimethylsilylethynyl bromo benzeneAKOS015913496AB10391DS-5170

데이터베이스 식별자

CAS: 16116-78-2
PubChem CID: 4226980
DTXSID: DTXSID30401021
EC Number: 835-531-4
Nikkaji: J832.815C

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 219

물리화학적 성질

녹는점: 61 · 61-63 °C(lit.)
끓는 점: 60 · 60-80°C/0.2mmHg
밀도: 1 · 1,192 g/cm3
저장 조건: 2 · 2-8°C
물리적 상태: 가루
색상: 흰색에서 노란색으로
Specific Gravity: 1.192 · 1.192
InChI: InChI=1S/C11H13BrSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3
InChIKey: RNMSGCJGNJYDNS-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C(C#C[Si](C)(C)C)C=C1

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
tsca: No
HS 번호: 2931.90.6000
risk_code: 36/37/38
safety_code: 26-36/37/39
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도(4-Bromophenylethynyl)trimethylsilane may be used to synthesize:1-bromo-4-ethynylbenzene4-(4-bromophenyl)-3-butyn-2-one4-ethynyl-4′-tert-butylbiphenyl1,4-bis[2-(4-bromophenyl)ethynyl]-2,5-dihexylbenzene

일반 설명(4-Bromophenylethynyl)trimethylsilane can be synthesized by the palladium catalyzed reaction between 4-bromo-1-iodobenzene and trimethylsilylacetylene. It undergoes Buchwald-Hartwig coupling with para-substituted diphenylamines.