기본 정보
- CAS
58416-04-9- 표준 SMILES
COC(=O)c1sc(C(=O)OC)c(O)c1O- InChIKey
ZZVINKJCOXPIKL-UHFFFAOYSA-N- 분자식
- C8H8O6S
- 평균 분자량
- 232.21 g/mol
- 단동위원소 질량
- 232.00415914
이름 및 식별자
- 우선 이름
- Dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate
- IUPAC
- dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate
- 현지명
- 3,4-디히드록시-티오펜-2,5-디카르복실산디메틸에스테르
- 영어명
- 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid dimethyl ester
- 분자식
- C8H8O6S
- 분자량
- 232.21
이름 및 동의어
58416-04-9dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylateDTXSID70325414RefChem:1083679DTXCID502765313,4-Dihydroxy-thiophene-2,5-dicarboxylic acid dimethyl esterDimethyl 3,4-dihydroxy-2,5-thiophenedicarboxylateMFCD018600872,5-Thiophenedicarboxylic acid, 3,4-dihydroxy-, dimethyl esterHMS1375L07bis[hydroxy(methoxy)methylidene]thiolane-3,4-dione1955564-21-2
이름 더 보기
3,4-디히드록시-티오펜-2,5-디카르복실산디메틸에스테르3,4-Dihydroxy-thioph3,4-DIHYDROXY-2,5-DICARBOXYTHIOPHENE DIMETHYL ESTERDimethyl3,4-Dihydroxy-2,5-thiophenedicarboxylate>2,5-dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate2,5-bis[hydroxy(methoxy)methylidene]thiolane-3,4-dione3,4-dihydroxythiophene-2,5-dimacetic acidimethyl ester
3,4-Dihydroxy-2,5-thiophenedicarboxylic Acid Dimethyl EsterAC-257552,5-DIMETHYL 3,4-DIHYDROXYTHIOPHENE-2,5-DICARBOXYLATED3682E10079dimethyl3,4-dihydroxythiophene-2,5-dicarboxylateSR-01000533085C8H8O6S
데이터베이스 식별자
- CAS
58416-04-9- PubChem CID
- 350052
- DTXSID
DTXSID70325414
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 242
물리화학적 성질
- 녹는점
- 182 °C · 182 °C
- 끓는 점
- 378.6 · 378.6±37.0 °C(Predicted)
- 밀도
- 1.532 · 1.532±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 8.19 · 8.19±0.20(Predicted)
- 색상
- 흰색에서 거의 흰색
화학적 성질
White powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2934.99.4400
화학 및 산업
응용 분야
용도Dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate is a useful reactant for Curtius-like rearrangement reactions for the synthesis of 2,5-diamide-substituted five-membered heterocycles based on the thiophene, pyrrole, and furan ring systems.
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