CAS 768-60-5 1-Ethynyl-4-methoxybenzene (HCID 251020)

개요

1-Eth-1-ynyl-4-methoxybenzene is a member of methoxybenzenes.

이름 및 식별자

우선 이름: 1-Ethynyl-4-methoxybenzene
IUPAC: 1-ethynyl-4-methoxybenzene
영어명: 4-Ethynylanisole
분자식: C9H8O
분자량: 132.16

이름 및 동의어

768-60-51-Ethynyl-4-methoxybenzeneBenzene, 1-ethynyl-4-methoxy-RefChem:432719640-179-8InChI=1/C9H8O/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H4-Ethynylanisole4-Methoxyphenylacetylenep-ethynylanisole4'-Methoxyphenyl acetylene1-ethynyl-4-methoxy-benzeneMFCD00168815

이름 더 보기

NSC 71091Anisylacetylene4-Ethynylanisode4-Ethynylanisole>4-Ethynylanisole,97%4-Ethynylanisole 97%

4-ethynyl anisolep-Methoxyphenylethyne4-methoxyphenylethynep-methoxyphenylacetylene4-methoxy-phenylacetylene4-ethynyl-1-methoxybenzene1-Ethynyl-4-methoxybenzene #1-eth-1-ynyl-4-methoxybenzene

데이터베이스 식별자

CAS: 768-60-5
PubChem CID: 251020
DTXSID: DTXSID20290800
ChEMBL: CHEMBL232552
ChEBI: CHEBI:194788
EC Number: 640-179-8
Nikkaji: J401.609B

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 134

물리화학적 성질

녹는점: 28 · 28-29 °C (lit.)
끓는 점: 87 · 87-91 °C/11 mmHg (lit.)
밀도: 1.019 g/mL · 1.019 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.563(lit.)
인화점: 180 °F · 180 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 아세톤트릴(약간), 클로로포름(약간)에 용해됨
물리적 상태: 액체 또는 저융점 고체
색상: 투명한 무색~진한 노란색 또는 갈색
수용성: 물에 불용성. 에 용해됨에 용해됨클로로포름, 에 용해됨아세톤, 디클로로메탄 및 메탄올에 용해됩니다.
안정성: 빛과 온도에 민감함
InChI: 1S/C9H8O/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H3
InChIKey: KBIAVTUACPKPFJ-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C#C
NIST: 4 · 4-CH3O-C6H4-CCH(768-60-5)

화학적 성질

Pale Yellow Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: UN 1325 4.1/PG 2
HS 번호: 29093090
risk_code: 22
hazard_code: Xn,F
safety_code: 24/25
포장분류: II
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도4-Ethynylanisole was used in the synthesis of photo luminescent 1,2-dihydrophosphinines via a [4 + 2] cycloaddition. Along with an arylboronic acid and sodium azide in a copper-catalyzed, three-component synthesis of trisubstituted 1,2,4-triazoles. In a study of a gold (III)-catalyzed hydroamination of alkynes leading to N-vinylindoles3.

일반 설명4-Ethynylanisole forms the corresponding propargyl aldehyde in good yield directly from DMF-dimethyl acetal without the need for making an acetylide salt. 1,3-dipolar cycloaddition of acceptor-cyclopropylmethylsilanes affords functionalized cyclopentenes in good yields.