3-티오펜카복실산
3-티오펜카복실산 · THIOPHENE-3-CARBOXYLIC ACID · 3-THIOPHENECARBOXYLIC ACID · 3-THENOIC ACID · 3-Thenoylic acid · 3-Thiophenecarboxylic · Thiophene-3-carboxylic acid ,99% · S0503
식별자 및 물리적 특성
| CAS No. | 88-13-1 |
|---|---|
| 분자식 | C5H4O2S |
| 평균 분자량 | 128.15 g/mol |
| 단동위원소 질량 | 127.99320037 g/mol |
| SMILES | O=C(O)c1ccsc1 |
| InChIKey | YNVOMSDITJMNET-UHFFFAOYSA-N |
| PubChem CID | 6918 |
| ChEMBL | CHEMBL164585 |
| EC No. | 201-802-5 |
| DTXSID | DTXSID40236745 |
| 현지명 | 3-티오펜카복실산 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 65.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 103 |
| SpringerMaterials Properties | Chemical shift |
| 녹는점 | 136-141 °C (lit.) |
| 끓는 점 | 260°C (estimate) |
| 밀도 | 1.305 (estimate) |
| 굴절률 | 1.5160 (estimate) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 물: 용해성 0.2g/10mL, 투명하거나 거의 투명함, 무색 내지 약간 갈색을 띤 노란색 |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | 4.1(at 25℃) |
| 색상 | 흰색에서 약간 노란색 |
| 용해도 | 4.3 g/L (25 ºC) |
| Merck | 14,9279 |
| BRN | 1994 |
| InChI | InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7) |
| InChIKey | YNVOMSDITJMNET-UHFFFAOYSA-N |
| SMILES | C1SC=CC=1C(O)=O |
화학적 성질
white to light yellow crystal powder
안전 및 규제
| GHS 분류 | WarningH315 (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 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | XM8330300 |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25-37/39-26-36 |
| 위험 등급 | IRRITANT |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
3-Thiophenezoic acid is a polymer monomer that can be used to synthesise thiophene derivative polymers, such as the poly(3-thiophene benzoic acid) (PTPA), the copolymer of 3-bromothiophene (BTP) and 3-thiophenezoic acid (TPA). These compounds are an important class of conductive polymers, typically exhibiting favourable electrochemical activity, environmental stability, and ease of processing.
용도
3-Thiophenecarboxylic Acid was used as a lading compound for the development of a clinic useful D-amino acid inhibitor and have the potential to sever as active site proves to elucidate the structure-function relationships of D-amino acids.
일반 설명
Mechanism of photopolymerization of 3-thiophenecarboxylic acid catalyzed by potassium dichromate has been reported.