3-Nitro-2-pyridinesulfenyl
NPYS-CL · OxytocinImpurity16 · 3-nitro-2-pyridinesulfenyl · 2-(chlorosulfanyl)-3-nitropyridine · 3-Nitro-2-pyridinesulfenyl chloride · 3-Nitropyridin-2-yl hypochlorothioite · 2-Pyridinesulfenyl chloride, 3-nitro- · (3-nitropyridin-2-yl)sulfanyl]chlorane
식별자 및 물리적 특성
| CAS No. | 68206-45-1 |
|---|---|
| 분자식 | C5H3ClN2O2S |
| 평균 분자량 | 190.61 g/mol |
| 단동위원소 질량 | 189.9603762 g/mol |
| SMILES | O=[N+]([O-])c1cccnc1SCl |
| InChIKey | WTKQMHWYSBWUBE-UHFFFAOYSA-N |
| PubChem CID | 129283 |
| EC No. | 625-611-5 |
| DTXSID | DTXSID70218377 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 84 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 152 |
| 녹는점 | 205 °C (dec.) (lit.) |
| 끓는 점 | 376.8±27.0 °C(Predicted) |
| 밀도 | 1.58±0.1 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| 용해도 | 디클로로메탄: 에 용해(lit.) |
| pKa(산도 계수) | -3.72±0.29(Predicted) |
| InChI | 1S/C5H3ClN2O2S/c6-11-5-4(8(9)10)2-1-3-7-5/h1-3H |
| InChIKey | WTKQMHWYSBWUBE-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cccnc1SCl |
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%)Eye Dam. 1 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 3261 8/PG 2 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-27-36/37/39-45 |
| 위험 등급 | Eye Dam. 1Skin Corr. 1B |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
3-Nitro-2-pyridinesulfenyl chloride (NpysCl) was employed as the starting material for the synthesis of N-, O- and S-Npys-protected amino acid.
일반 설명
The 3-nitro-2-pyridinesulphenyl (Npys) moiety is useful as a protecting-activating group for cysteine, particularly in the synthesis of cyclic and unsymmetrical disulfides. The stability of NpysCl was studied in various solvents.
제조 및 합성 방법
제조 방법
3-Nitro-2-pyridinesulfenyl chloride may be prepared by chlorination of bis(3-nitro-2-pyridyl) disulfide with gaseous chlorine.