Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-아미노-4-하이드록시벤젠술폰 산
3-아미노-4-하이드록시벤젠술폰산 · 2-아미노페놀-4-설폰산 · ORTHO AMINO PHENOL 4 SULPHONIC ACID · OAPSA · NSC1491 · NSC 1491 · NSC-1491 · 2-AMino phenol-4-acid
식별자 및 물리적 특성
| CAS No. | 98-37-3 |
|---|---|
| 분자식 | C6H7NO4S |
| 평균 분자량 | 189.19 g/mol |
| 단동위원소 질량 | 189.0095787 g/mol |
| SMILES | Nc1cc(S(=O)(=O)O)ccc1O |
| InChIKey | ULUIMLJNTCECJU-UHFFFAOYSA-N |
| PubChem CID | 7385 |
| ChEMBL | CHEMBL1455467 |
| EC No. | 202-662-8 |
| DTXSID | DTXSID5024500 |
| 현지명 | 3-아미노-4-하이드록시벤젠술폰 산 |
화학 및 물리적 성질
| XLogP | -0.1 |
|---|---|
| 극성 표면적 | 109 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 245 |
| 물질 분류 | Nitrogen Compounds -> Aminobenzenesulfonic Acids |
| 용해도 | less than 1 mg/mL at 70.7 °F (NTP, 1992) |
| 녹는점 | greater than 572 °F (decomposes) (NTP, 1992)≥300 °C(lit.) |
| Physical Description | Rhombic brown crystals. (NTP, 1992)Brown solid[CAMEO] Dark brown crystalline solid[Sigma-Aldrich MSDS] |
| 끓는 점 | 398.09℃[at 101 325 Pa] |
| 밀도 | 1.5149 (rough estimate) |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | 1.5500 (estimate) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| pKa(산도 계수) | -0.81±0.50(Predicted) |
| 물리적 상태 | powder to crystal |
| 색상 | Orange to Amber to Dark red |
| 용해도 | 21.5&C에서 <0.1g/100mL |
| BRN | 514765 |
| 안정성 | 안정적인. 강한 산화제, 강산 및 강염기와 호환되지 않습니다. |
| InChI | 1S/C6H7NO4S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3,8H,7H2,(H,9,10,11) |
| InChIKey | ULUIMLJNTCECJU-UHFFFAOYSA-N |
| SMILES | Nc1cc(ccc1O)S(O)(=O)=O |
| LogP(분배 계수) | -2.56 at 25℃ |
| EPA | 4-Hydroxymetanilic acid (98-37-3) |
화학적 성질
brown crystals
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 13.8% (9 of 65) of reports.DangerH314 (69.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 65 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzenesulfonic acid, 3-amino-4-hydroxy-Status: Active Update: 14-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10421 |
| 운송 라벨(DOT) | Corrosive |
| 화재 위험 | Flash point data for this chemical is not available, however it is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes. |
| 유해성 요약 | An irritant[NTP] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] See Sulfanilic acid. |
| 반응성 그룹 | Acids, Weak |
| Reactivity Profile | 2-AMINOPHENOL-4-SULFONIC ACID may react with strong oxidizers and mineral acids or bases. (NTP, 1992) |
| Air and Water Reactions | It may be sensitive to prolonged exposure to air. Insoluble in water. |
| Hazard Classes and Categories | Skin Corr. 1B (69.2%) |
| 소화 | Fires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2585 8/PG 3 |
| 관세 코드 | 2922.49.3700 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45 |
| 포장분류 | III |
| 위험 등급 | 8Eye Irrit. 2Skin Irrit. 2 |
| 기존화학 물질 | KE-01388 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
일반 설명
Rhombic brown crystals.
제조 및 합성 방법
생산 방법
2-Aminophenol-4-sulfonic acid is obtained by boiling 4-chloro-3- nitrobenzenesulfonic acid with sodium hydroxide solution, followed by Béchamp reduction.