2-Methoxythiophene

HCID 85610CAS 16839-97-7

기본 정보

표준 SMILES: COc1cccs1
InChIKey: OKEHURCMYKPVFW-UHFFFAOYSA-N
분자식: C5H6OS
평균 분자량: 114.17 g/mol
단동위원소 질량: 114.01393598

이름 및 식별자

우선 이름: 2-Methoxythiophene
IUPAC: 2-methoxythiophene
영어명: 2-Methoxythiophene
분자식: C5H6OS
분자량: 114.17

이름 및 동의어

2-Methoxythiophene16839-97-7Thiophene, 2-methoxy-EINECS 240-863-2DTXSID60168559RefChem:87950DTXCID1091050240-863-2InChI=1/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1HOKEHURCMYKPVFW-UHFFFAOYSA-N130410-20-72-methoxy-thiophene

이름 더 보기

Methoxythiophene2-Methoxythiophene>2-Methoxythiophene 97%2-Methoxythiophene,99%2-Methoxythiophene,97%METHYL 2-THIENYL ETHER2-Methoxythiophene ISO 9001：2015 REACH

MFCD000145262-methoxy thiophene2-Methoxythiophene #2-(methyloxy)thiophene2-Methoxythiophene, 97%SCHEMBL73652SCHEMBL247102SCHEMBL383629

데이터베이스 식별자

CAS: 16839-97-7
PubChem CID: 85610
DTXSID: DTXSID60168559
ChEBI: CHEBI:229346
EC Number: 240-863-2
Nikkaji: J151.062B

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 37.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 56

실험 및 물리화학적 성질

Kovats Retention Index878

물리화학적 성질

끓는 점: 151 · 151-152 °C/762 mmHg (lit.)
밀도: 1.133 g/mL · 1.133 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.528(lit.)
인화점: 110 °F · 110 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
BRN: 106271 · 106271
InChI: InChI=1S/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1H3
InChIKey: OKEHURCMYKPVFW-UHFFFAOYSA-N
SMILES: C1(OC)SC=CC=1
LogP: 2.13 · 2.130
NIST: 2 · 2-Methoxythiophene(16839-97-7)

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29349990
risk_code: 10
safety_code: 16
포장분류: III
위험 등급: 3
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도2-Methoxythiophene was used in thermal reaction (60°C) of (C5Me5)Rh(PMe3)(Ph)H.

일반 설명2-Methoxythiophene is a heterocyclic methyl enol ether and its reaction with o-quinone monoimide was studied. The intramolecular and intermolecular geometries of crystals of 2-methoxythiophene were investigated. Kinetics of the hydronium-ion catalysed hydrolysis of 2-methoxythiophene was reported.