2,2'-비티오펜-5-카르복스알데하이드

[2,2'-Bithiophene]-5-carboxaldehyde

HCID 364428CAS 3779-27-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1ccc(-c2cccs2)s1
InChIKey: FYBWRAXKYXTOQC-UHFFFAOYSA-N
분자식: C9H6OS2
평균 분자량: 194.3 g/mol
단동위원소 질량: 193.98600716

이름 및 식별자

우선 이름: [2,2'-Bithiophene]-5-carboxaldehyde
IUPAC: 5-thiophen-2-ylthiophene-2-carbaldehyde
현지명: 2,2'-비티오펜-5-카르복스알데하이드
영어명: 2,2'-BITHIOPHENE-5-CARBOXALDEHYDE
분자식: C9H6OS2
분자량: 194.27

이름 및 동의어

3779-27-9[2,2'-Bithiophene]-5-carboxaldehyde(2,2'-Bithiophene)-5-carboxaldehydeDTXSID70191237RefChem:68497DTXCID801137282,2'-Bithiophene-5-carboxaldehyde2,2'-bithiophene-5-carbaldehyde[2,2'-Bithiophene]-5-carbaldehyde2,2-Bithiophene-5-carboxaldehyde2,2'-Bithienyl-5-carboxaldehyde5-thiophen-2-ylthiophene-2-carbaldehyde

이름 더 보기

2,2'-비티오펜-5-카르복스알데하이드S1180AKOS BAR-0540BUTTPARK 29\08-48TIMTEC-BB SBB003601SALOR-INT L158844-1EA2,2'-Bithiophene-5-carboxaldehy2,2-dithiophene-5-methylaldehyde

5-Formyl-2,2'-bithiopheneMFCD00052294C9H6OS25-(2-thienyl)thiophene-2-carbaldehyde5-(thiophen-2-yl)thiophene-2-carbaldehydeNSC630688MLS002702914CHEMBL314090

데이터베이스 식별자

CAS: 3779-27-9
PubChem CID: 364428
DTXSID: DTXSID70191237
ChEMBL: CHEMBL314090
EC Number: 813-826-9
Nikkaji: J622.648E

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 73.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 55 · 55-58 °C(lit.)
끓는 점: 210 °C · 210 °C / 18mmHg
밀도: 1.424 g/cm3 · 1.424 g/cm3
인화점: 230 °F · >230 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
물리적 상태: powder to crystal
색상: White to Amber to Dark green
InChI: InChI=1S/C9H6OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H
InChIKey: FYBWRAXKYXTOQC-UHFFFAOYSA-N
SMILES: C1(C2SC=CC=2)SC(C=O)=CC=1

화학적 성질

yellow-brown to brown crystalline powder

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. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29349990
hazard_code: Xi
safety_code: 24/25
위험 등급: IRRITANT
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2,2′-Bithiophene-5-carboxaldehyde may be used in the synthesis of the following:boron dipyrromethene(BODIPY)oligothiophenes via a multi-step reaction process(2,2′-bithiophene-5-carbaldehyde)-4-nitrophenylhydrazone(BT-NPH) via reaction with 4-nitrophenylhydrazinebithiophene fulleropyrrolidine obtained via refluxing with sarcosine and fullereneazomethine phthalic diimides by heating with N,N-bis(4-amino-2,3,5,6-tetramethylphenyl)naphthalene-1,4,5,8-dicarboximide (DANDI)