2,2′:5′,2′′-터티오펜
2,2':5',2-터티오펜 · 2,2′:5′,2′′-터티오펜 · 2,2':5',2"-터티오펜 · α-Terthiophene · terthienyl · TERTHIOPHENE · 3TH · TTh
식별자 및 물리적 특성
| CAS No. | 1081-34-1 |
|---|---|
| 분자식 | C12H8S3 |
| 평균 분자량 | 248.4 g/mol |
| 단동위원소 질량 | 247.97881326 g/mol |
| SMILES | c1csc(-c2ccc(-c3cccs3)s2)c1 |
| InChIKey | KXSFECAJUBPPFE-UHFFFAOYSA-N |
| PubChem CID | 65067 |
| ChEMBL | CHEMBL90017 |
| ChEBI | CHEBI:10335 |
| EC No. | 640-441-1 |
| DTXSID | DTXSID2041206 |
| 현지명 | 2,2′:5′,2′′-터티오펜 |
화학 및 물리적 성질
| XLogP | 4.4 |
|---|---|
| 극성 표면적 | 84.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 197 |
| SpringerMaterials Properties | Angular frequency |
| Collision Cross Section | 146.4 Ų [M]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID2041206] |
| 녹는점 | 93-95 °C(lit.) |
| 끓는 점 | 160 °C (0.1 mmHg) |
| 밀도 | 1.4602 (rough estimate) |
| 굴절률 | 1.6200 (estimate) |
| 인화점 | 160°C/0.1mm |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| 색상 | 연노랑 |
| 용해도 | 물에 불용성. |
| Merck | 14,9174 |
| BRN | 178604 |
| InChI | InChI=1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H |
| InChIKey | KXSFECAJUBPPFE-UHFFFAOYSA-N |
| SMILES | C1(C2SC(C3SC=CC=3)=CC=2)SC=CC=1 |
| EPA | .alpha.-Terthiophene (1081-34-1) |
화학적 성질
YELLOW TO YELLOW-BROWN POWDER
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.WarningH315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (25%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | WZ9717750 |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 22-24/25 |
| F 고인화성물질 | 8-10 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
α-Terthienyl was first recognized as a nematicidal constituent of marigolds, but in the presence of light, it is also highly toxic to larvae of several insect species, including mosquitoes. This electron donor thiophenederivative phototoxin is biosynthesized from polyacetylene precursors and appears to function as a photosensitizer catalyzing the formation of reactive oxygen species at the target site (25).
일반 설명
2,2′:5′,2′′-Terthiophene (TTh) may be prepared by nickel catalysed coupling reaction of grignard′s reagent derived from 2-bromothiophene and magnesium. It generates singlet oxygen. In nature, it is found in the floral extract of Tagetes minuta and Echinops grijisii. It is known to be toxic to mosquitoes. It also exihibits antifungal activity.