3,4-Dimethoxythiophene

HCID 3613501

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기본 정보

CAS: 51792-34-8
표준 SMILES: COc1cscc1OC
InChIKey: ZUDCKLVMBAXBIF-UHFFFAOYSA-N
분자식: C6H8O2S
평균 분자량: 144.19 g/mol
단동위원소 질량: 144.02450067

이름 및 식별자

우선 이름: 3,4-Dimethoxythiophene
IUPAC: 3,4-dimethoxythiophene
영어명: 3,4-Dimethoxythiophene
분자식: C6H8O2S
분자량: 144.19

이름 및 동의어

3,4-Dimethoxythiophene51792-34-8DTXSID90394208RefChem:271146DTXCID40345068628-711-7Thiophene, 3,4-dimethoxy-MFCD010965463,4-Dimethoxy thiophene3,4-dimethoxy-thiophene3,4-Dimethoxythiophene, 97%4-diMethoxythiophene

이름 더 보기

DMOTJACS-51792-34-8AKOS BBS-00006359,4-diMethoxythiophene3,4-dimethoxytiophene3,4- twoMethoxythiopheneThiophene,3,4-dimethoxy-3,4-Dimethoxythiophene>3,4-DIMETHOXYTHIOPHENE 98%

SCHEMBL273191SCHEMBL3943586ZUDCKLVMBAXBIF-UHFFFAOYSA-NSBB042426AKOS000270772AC-4907CS-W008823AS-14512

데이터베이스 식별자

CAS: 51792-34-8
PubChem CID: 3613501
DTXSID: DTXSID90394208
EC Number: 628-711-7
Nikkaji: J1.442.971I

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 46.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 77

물리화학적 성질

끓는 점: 100 · 100-102 °C/10-11 mmHg
밀도: 1.209 g/mL · 1.209 g/mL at 25 °C
굴절률: 1.5409 · 1.5409
인화점: 224 · 224 ºF
저장 조건: -20 °C · -20°C
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Yellow
수용성: 유기용매와 섞일 수 있음. 물과 약간 섞임.
InChI: 1S/C6H8O2S/c1-7-5-3-9-4-6(5)8-2/h3-4H,1-2H3
InChIKey: ZUDCKLVMBAXBIF-UHFFFAOYSA-N
SMILES: COc1cscc1OC

화학적 성질

Colorless to yellow to orange liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 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 CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29309090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-24/25
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도3,4-Dimethoxythiophene is used as an electronic materials intermediate. It is used as a starting material in the synthesis of porphyrin dyad which is used to study photoinduced energy transfer.

일반 설명3,4-Dimethoxythiophene (DMOT) is a monomer and a precursor which can be synthesized by ring closure reaction of 2,3-dimethoxy-1,3-butadiene and sulfur dichloride in hexane medium. It is an oligothiphene that is majorly used in the development of electroactive materials for organic electronics based applications.