Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Phosphorodichloridic acid, 4-nitrophenyl ester
phosphorodichL · p-Nitrophenyl dichlorophosphate · 4-NITROPHENYL DICHLOROPHOSPHATE · 4-nitrophenyl dichlorophosphonate · 4-Nitrophenylphosphonicdichloride · 4-Nitrophenyl phosphoryldichloride · P-NITROPHENYL PHOSPHORODICHLORIDATE · 4-Nitrophenyl phosphorodichloridate
식별자 및 물리적 특성
| CAS No. | 777-52-6 |
|---|---|
| 분자식 | C6H4Cl2NO4P |
| 평균 분자량 | 255.98 g/mol |
| 단동위원소 질량 | 254.9255 g/mol |
| SMILES | O=[N+]([O-])c1ccc(OP(=O)(Cl)Cl)cc1 |
| InChIKey | NCPBESHYZRJICR-UHFFFAOYSA-N |
| PubChem CID | 69898 |
| EC No. | 212-289-2 |
| DTXSID | DTXSID8061131 |
화학 및 물리적 성질
| XLogP | 2.8 |
|---|---|
| 극성 표면적 | 72.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 255 |
| 녹는점 | 44-45 °C (lit.) |
| 끓는 점 | 182-183 °C/13 mmHg (lit.) |
| 밀도 | 1.644 |
| 인화점 | >230 °F |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름(약간 용해됨) |
| 물리적 상태 | 고체 |
| BRN | 1468239 |
| 안정성 | 흡습성, 수분 민감성 |
| InChI | InChI=1S/C6H4Cl2NO4P/c7-14(8,12)13-6-3-1-5(2-4-6)9(10)11/h1-4H |
| InChIKey | NCPBESHYZRJICR-UHFFFAOYSA-N |
| SMILES | P(Cl)(Cl)(OC1=CC=C([N+]([O-])=O)C=C1)=O |
| EPA | Phosphorodichloridic acid, 4-nitrophenyl ester (777-52-6) |
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (97.4%): 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 2 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. |
|---|---|
| 규제 정보 | Phosphorodichloridic acid, 4-nitrophenyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Corr. 1B (100%)Eye Dam. 1 (97.4%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3261 8/PG 2 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | III |
| 위험 등급 | 8Skin Corr. 1B |
| F 고인화성물질 | 10-21 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
4-Nitrophenyl phosphorodichloridate was used to phosphorylate the derivatized resin.