2,2'-비티오펜-5-카르복실산

2,2'-Bithiophene-5-carboxylic acid

HCID 150965CAS 2060-55-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccc(-c2cccs2)s1
InChIKey: PTNWHEHDBNNKEO-UHFFFAOYSA-N
분자식: C9H6O2S2
평균 분자량: 210.3 g/mol
단동위원소 질량: 209.98092143

개요

structure given in first source

이름 및 식별자

우선 이름: 2,2'-Bithiophene-5-carboxylic acid
IUPAC: 5-thiophen-2-ylthiophene-2-carboxylic acid
현지명: 2,2'-비티오펜-5-카르복실산
영어명: 2,2'-BITHIOPHENE-5-CARBOXYLIC ACID
분자식: C9H6O2S2
분자량: 210.27

이름 및 동의어

2060-55-12,2'-Bithiophene-5-carboxylic acid5-thiophen-2-ylthiophene-2-carboxylic acid2,2'-Bithiophene-5-CADTXSID80174612RefChem:80697DTXCID1097103[2,2'-Bithiophene]-5-carboxylic acidMFCD001595712,2-Bithiophene-5-carboxylic acidC9H6O2S25-(thiophen-2-yl)thiophene-2-carboxylic acid

이름 더 보기

2,2'-비티오펜-5-카르복실산AKOS BAR-1343RARECHEM AL BE 0292IFLAB-BB F1956-00012,2'-Bithiophene]-5-carboxylic acid2,2-Bis(thiophene)-5-carboxylic acid5-(thien-2-yl)thiophene-2-carboxylic acid

[2,2']Bithiophenyl-5-carboxylic acid5-(2-thienyl)thiophene-2-carboxylic acid[2,2'-Bithiophene]-5-carboxylicacid5-(2-thienyl)-2-thiophenecarboxylic acidSDCCGMLS-0065981.P0015-carboxyl bithiophene5-carboxy-2,2'-bithiopheneorb3030914

데이터베이스 식별자

CAS: 2060-55-1
PubChem CID: 150965
DTXSID: DTXSID80174612
EC Number: 803-186-9
Nikkaji: J682.224J

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 93.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 208

물리화학적 성질

녹는점: 183 · 183-184 °C
끓는 점: 396.1 · 396.1±32.0 °C(Predicted)
밀도: 1.438 · 1.438±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.54 · 3.54±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.