1-에틸닐-2-메톡시벤젠

1-Ethynyl-2-methoxybenzene

HCID 582912

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 767-91-9
표준 SMILES: C#Cc1ccccc1OC
InChIKey: UFOVULIWACVAAC-UHFFFAOYSA-N
분자식: C9H8O
평균 분자량: 132.16 g/mol
단동위원소 질량: 132.05751487

이름 및 식별자

우선 이름: 1-Ethynyl-2-methoxybenzene
IUPAC: 1-ethynyl-2-methoxybenzene
현지명: 1-에틸닐-2-메톡시벤젠
영어명: 1-ETHYNYL-2-METHOXYBENZENE
분자식: C9H8O
분자량: 132.16

이름 및 동의어

1-Ethynyl-2-methoxybenzene767-91-9benzene, 1-ethynyl-2-methoxy-DTXSID201311854RefChem:432690DTXCID30944741817-370-1InChI=1/C9H8O/c1-3-8-6-4-5-7-9(8)10-2/h1,4-7H,2H2'-Methoxyphenyl acetylene2-Ethynylanisole2-Methoxyphenylacetylene1-ethynyl-2-methoxy-benzene

이름 더 보기

1-에틸닐-2-메톡시벤젠2-Ethynylanisole 97%SALOR-INT L308617-1EA(2-Methoxyphenyl)ethyne(o-Methoxyphenyl)acetylene1-Etynyl-2-Methoxy-BenzeneBenzene, 1-ethynyl-2-methoxy- (9CI)

MFCD038399892'-Methoxyphenylacetylene1-ethynyl-2-methoxybenzen1-Ethynyl-2-methoxybenzene #AKOS008901266CS-W005515EN300-2137662-Methoxyphenyl acetylene

데이터베이스 식별자

CAS: 767-91-9
PubChem CID: 582912
DTXSID: DTXSID201311854
EC Number: 817-370-1
Nikkaji: J655.962J

물성

구조 계산 물성

XLogP: 2.6
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: 142

물리화학적 성질

끓는 점: 197 °C · 197 °C (lit.)
밀도: 1.022 g/mL · 1.022 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5720(lit.)
인화점: 91 °C · 91 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 액체
InChI: 1S/C9H8O/c1-3-8-6-4-5-7-9(8)10-2/h1,4-7H,2H3
InChIKey: UFOVULIWACVAAC-UHFFFAOYSA-N
SMILES: COc1ccccc1C#C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2909309090
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2-Ethynylanisole may be used in the synthesis of 1,4-bis(2-methoxyphenyl)-2-methylbenzene.

일반 설명2-Ethynylanisole is an acetylene derivative. It has been prepared by reacting 2-iodoanisole with trimethylsilylacetylene followed by the deprotection of trimethylsilyl group.