2,5-티오펜이카복실산
2,5-Thiophenedicarboxylic acid
기본 정보
- CAS
4282-31-9- 표준 SMILES
O=C(O)c1ccc(C(=O)O)s1- InChIKey
YCGAZNXXGKTASZ-UHFFFAOYSA-N- 분자식
- C6H4O4S
- 평균 분자량
- 172.16 g/mol
- 단동위원소 질량
- 171.98302961
이름 및 식별자
- 우선 이름
- 2,5-Thiophenedicarboxylic acid
- IUPAC
- thiophene-2,5-dicarboxylic acid
- 현지명
- 2,5-티오펜이카복실산
- 영어명
- 2,5-Thiophenedicarboxylic acid
- 분자식
- C6H4O4S
- 분자량
- 172.16
이름 및 동의어
2,5-Thiophenedicarboxylic acidTHIOPHENE-2,5-DICARBOXYLIC ACID2,5-Dicarboxythiophene2,5-Thiophene dicarboxylic acidUNII-5Q8A2G9Y8A5Q8A2G9Y8AEINECS 224-284-2NSC 81789NSC-81789DTXSID7063392RefChem:83027DTXCID1040166
이름 더 보기
2,5-티오펜이카복실산thiophene-2,5-dicarboxylateRARECHEM AL BE 06232,5-ThiophenedicarboOTAVA-BB BB70139114252,5-THIOPHENEDICARBOXYLICThiophene-2,5-Dicarboxyl Acid
YCGAZNXXGKTASZ-UHFFFAOYSA-N4282-31-9MFCD00016896TH-2COOHMaybridge4_002021SCHEMBL704932.5-Thiophenedicarboxylic acidorb3214673
데이터베이스 식별자
- CAS
4282-31-9- PubChem CID
- 20273
- DTXSID
DTXSID7063392- UNII
- 5Q8A2G9Y8A
- EC Number
- 224-284-2
- Nikkaji
- J205.683F
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 171
물리화학적 성질
- 녹는점
- 300 °C · >300 °C (lit.)
- 끓는 점
- 272.46 °C · 272.46°C (rough estimate)
- 밀도
- 1.473 · 1.473 (estimate)
- 굴절률
- 1.55 · 1.5500 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.76 · 2.76±0.10(Predicted)
- 색상
- 흰색에서 밝은 노란색
- 수용성
- 물에 매우 잘 녹습니다.
- BRN
- 136781 · 136781
- InChI
- InChI=1S/C6H4O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
- InChIKey
- YCGAZNXXGKTASZ-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)SC(C(O)=O)=CC=1
- EPA
- 2 · 2,5-Thiophenedicarboxylic acid (4282-31-9)
화학적 성질
white to light yellow crystal powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-33796
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information2,5-Thiophenedicarboxylic acid: ACTIVE
응용 분야
용도2,5-Thiophenedicarboxylic acid may be used as a thiophene based linker in the preparation of magnesium coordination networks. It may also be used as a precursor in the synthesis of 2,5-bis-benzoxazoyl-thiophene (EBF).It may be used in the synthesis of the following:new cobalt(II) thiophenedicarboxylate coordination polymernovel mesogenic thiophene based supramolecular liquid crystalstwo novel coordination polymers with the formula {[Ln2(2,5-tdc)3(dmso)2]H2O}n (Ln = Tb(III) and Dy(III)), (2,5-tdc2 = 2,5-thiophenedicarboxylate and dmso = dimethylsulfoxide)
일반 설명2,5-Thiophenedicarboxylic acid (2,5-TDCA, H2TDC) is an important building block in the preparation of fluorescent brightening agent, fungicides and anti-cancer drug. It has been generated by chlorination of adipic acid using thionyl chloride. Due to its diverse coordination modes, it is an excellent choice as an aromatic linker to generate coordination networks. The enthalpies of combustion and sublimation of 2,5-thiophenedicarboxylic acid have been evaluated by rotary-bomb combustion calorimetry.
상·하류 제품 정보
상류 원료
관련 반응
16건
화합물 노트
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