5-Acetyl-2,2'-bithienyl

HCID 606422

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3515-18-2
표준 SMILES: CC(=O)c1ccc(-c2cccs2)s1
InChIKey: GKGAOTYPISAEEK-UHFFFAOYSA-N
분자식: C10H8OS2
평균 분자량: 208.3 g/mol
단동위원소 질량: 208.00165688

이름 및 식별자

우선 이름: 5-Acetyl-2,2'-bithienyl
IUPAC: 1-(5-thiophen-2-ylthiophen-2-yl)ethanone
영어명: 5-ACETYL-2,2'-BITHIENYL
분자식: C10H8OS2
분자량: 208.3

이름 및 동의어

5-ACETYL-2,2'-BITHIENYLRefChem:531870893-315-53515-18-21-(5-thiophen-2-ylthiophen-2-yl)ethanone5-Acetyl-2,2'-bithiophene1-([2,2'-Bithiophen]-5-yl)ethanone1-(2,2'-Bithiophen-5-yl)ethanone1-{[2,2'-bithiophen]-5-yl}ethan-1-oneMFCD004646591-[5-(thiophen-2-yl)thiophen-2-yl]ethan-1-one1-[2,2']Bithiophenyl-5-yl-ethanone

이름 더 보기

5-Acetyl-25-Acetyl-2,2-BITHIOPHENEAKOS BAR-07525-ACETYL-2,2ÕSALOR-INT L164879-1EA5-acetyl-2,2'-dithiophene5-Acetyl-2,2'-bithienyl,97%2-ACETYL-5-(THIEN-2-YL)THIOPHENE

1-[5-(2-thienyl)-2-thienyl]ethanoneMLS0010491231-([2,2'-Bithiophen]-5-yl)ethan-1-one1-[2,2'-Bithiophen]-5-ylethanoneSMR0002128052-acetyl-5-(2-thienyl)thiophene5-Acetyl-2,2-bithienylMaybridge1_007260

데이터베이스 식별자

CAS: 3515-18-2
PubChem CID: 606422
DTXSID: DTXSID40345689
ChEMBL: CHEMBL1345360
EC Number: 893-315-5
Nikkaji: J79.812F

물성

구조 계산 물성

XLogP: 3
극성 표면적: 73.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 205

물리화학적 성질

녹는점: 109 · 109-114 °C
끓는 점: 363.4 · 363.4±32.0 °C(Predicted)
밀도: 1.26 · 1.260±0.06 g/cm3(Predicted)
저장 조건: Refrigerator (+4°C)

화학적 성질

yellow to yellow-green powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.