Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-Nitrobenzenesulfonic acid
p-Nitrobenzenesulfonic acid · 4-NITROBENZENESULFONIC ACID HYDRATE · 4-nitrobenzenesulfonate · NSC 5376 · Zidovudine impurity J · p-Nitrobenzenesulfonic · p-Nitrobenzenesulfonate · 4-nitro-benzenesulfonicaci
식별자 및 물리적 특성
| CAS No. | 138-42-1 |
|---|---|
| 분자식 | C6H5NO5S |
| 평균 분자량 | 203.17 g/mol |
| 단동위원소 질량 | 202.98884343 g/mol |
| SMILES | O=[N+]([O-])c1ccc(S(=O)(=O)O)cc1 |
| InChIKey | SPXOTSHWBDUUMT-UHFFFAOYSA-N |
| PubChem CID | 8740 |
| EC No. | 205-329-5 |
| DTXSID | DTXSID3059682 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 109 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 279 |
| Physical Description | Nearly white solid[Acros Organics MSDS] |
| 녹는점 | 105-112 °C |
| 밀도 | 1.548 (estimate) |
| 굴절률 | 1.5380 (estimate) |
| 저장 조건 | -20°C Freezer, Under inert atmosphere |
| 용해도 | DMSO(약간 용해됨, 초음파 처리), 물(약간 용해됨) |
| pKa(산도 계수) | -1.38±0.50(Predicted) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 베이지색에서 노란색-오렌지색 |
| 용해도 | 476g/L(100.5ºC) |
| EPA | Benzenesulfonic acid, 4-nitro- (138-42-1) |
화학적 성질
BEIGE TO YELLOW-ORANGE CRYSTALLINE POWDER
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 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. |
|---|---|
| 유해성 요약 | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Acros Organics MSDS] See 2-Methyl-5-nitrobenzenesulfonic acid, 3-Nitrobenzenesulfonic acid, and Sodium 3-nitrobenzenesulfonate. |
| Hazard Classes and Categories | Skin Corr. 1B (100%)Skin Sens. 1 (33.3%)Eye Dam. 1 (66.7%) |
| 유해 작용 | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2305 (NITROBENZENESULPHONIC ACID) |
| 관세 코드 | 29049090 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi,C |
| 안전 문구(S) | 37/39-26 |
| 포장분류 | II |
| 위험 등급 | 8 |
| 위험 참고 사항 | Corrosive/Irritant |
용도
용도
4-Nitrobenzenesulfonic acid is less important than the ortho and meta isomers because sulfanilic acid and its derivatives are readily available from aniline and acetanilide.
용도
4-Nitrobenzenesulfonic acid is used in the preparation of diaryl compounds as antiviral agents.
제조 및 합성 방법
생산 방법
4-Nitrobenzenesulfonic acid is produced by hydrolysis of 4-nitrobenzenesulfonyl chloride.