4-Aminothiophenol
4-AMINOBENZENETHIOL · P-AMINOTHIOPHENOL · 4-Aminothiopheno · P-AMINOBENZENETHIOL · 4-MERCAPTOANILINE · 4-Aminothophenol · 4-AMINOTHIOPHENOL · p-Mercaptoaniline
식별자 및 물리적 특성
| CAS No. | 1193-02-8 |
|---|---|
| 분자식 | C6H7NS |
| 평균 분자량 | 125.19 g/mol |
| 단동위원소 질량 | 125.02992022 g/mol |
| SMILES | Nc1ccc(S)cc1 |
| InChIKey | WCDSVWRUXWCYFN-UHFFFAOYSA-N |
| PubChem CID | 14510 |
| EC No. | 214-763-4 |
| DTXSID | DTXSID1074466 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 27 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 66.9 |
| LogP(분배 계수) | 1.31 |
| 녹는점 | 37-42 °C(lit.) |
| 끓는 점 | 140-145 °C16 mm Hg(lit.) |
| 밀도 | 1.136 (estimate) |
| 굴절률 | 1.4606 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 7.3g/L |
| pKa(산도 계수) | 8.74±0.10(Predicted) |
| 물리적 상태 | 결정, 플레이크 또는 결정질 덩어리 |
| 색상 | 황백색에서 갈색까지 |
| 용해도 | 물과 섞이지 않습니다. |
| BRN | 906904 |
| InChI | 1S/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 |
| InChIKey | WCDSVWRUXWCYFN-UHFFFAOYSA-N |
| SMILES | Nc1ccc(S)cc1 |
| NIST | 4-Aminothiophenol(1193-02-8) |
| EPA | 4-Aminothiophenol (1193-02-8) |
화학적 성질
yellow crystalline low melting mass
안전 및 규제
| GHS 분류 | DangerH302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (16.3%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | DC0602500 |
| 운송 번호(UN) | UN 3263 8/PG 2 |
| 관세 코드 | 29309070 |
| 위험 문구(R) | 34-37 |
| 위험 표시 | C |
| 안전 문구(S) | 26-28-36/37/39-45-25-27 |
| 포장분류 | III |
| 위험 등급 | 8Skin Corr. 1B |
| F 고인화성물질 | 10-13-23 |
| 위험 참고 사항 | Corrosive/Stench |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
4-Aminothiophenol (4-ATP) was employed as bifunctional molecule to functionalize gold nanoparticles (NPs) used in surface-enhanced Raman spectroscopy (SERS) detection of thrombin by protein recognition.
일반 설명
4-Aminothiophenol (p-aminothiophenol, PATP) is an aromatic thiol. The self-assembly of silver and gold nano particles which are interconnected with 4-ATP to form metal-molecule-metal sandwich architecture has been characterized by surface enhanced Raman scattering (SERS) using an off-surface plasmon resonance condition. Chemical transformation of PATP to 4,4-dimercaptoazobenzene (DMAB) has been extensively studied.
제조 및 합성 방법
제조 방법
synthesis of 4-aminothiophenol: A mixture of 128 g. of p-chloronitrobenzene and a solution of 480 g. of sodium sulfide nonahydrate in 2 l. of water is heated to reflux for 8 hours. The cooled mixture is extracted with ether to remove a small amount of oil, the remaining aqueous solution is saturated with sodium chloride, and 240 g. of glacial acetic acid is added. The precipitated oil is removed by ether extraction, and the resulting ethereal solution is dried over sodium sulfate and distilled to give 70 g. (69%) of 4-aminothiophenol boiling at 143-146°/17 mm. and melting at 43-45°.