Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
황산아닐린
황산아닐린 · ANILINE SULFATE · ANILINE SULPHATE · Anilinium Sulfate · Dianilinium sulfate · Aniline sulfate 98% · dianilinium sulphate · Benzenamine, sulfate
식별자 및 물리적 특성
| CAS No. | 542-16-5 |
|---|---|
| 분자식 | C12.H16.N2.O4.S |
| 평균 분자량 | 284.33 g/mol |
| 단동위원소 질량 | 284.08307799 g/mol |
| SMILES | Nc1ccccc1.Nc1ccccc1.O=S(=O)(O)O |
| InChIKey | FUKMEFZGEMVGLD-UHFFFAOYSA-N |
| PubChem CID | 10951 |
| EC No. | 208-805-0 |
| DTXSID | DTXSID20883433 |
| 현지명 | 황산아닐린 |
화학 및 물리적 성질
| 극성 표면적 | 135 |
|---|---|
| 수소 결합 공여자 수 | 4 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 127 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aromatic |
| 밀도 | 1.38 @25 °C |
| Physical Description | SolidDarkened by air and light[Merck Index] White odorless powder[Alfa Aesar MSDS] |
| 용해도 | 물: 가용성 5%, 투명, 무색 |
| 물리적 상태 | 가루 |
| 색상 | Nearly white |
| 용해도 | 물에 용해됨 |
| BRN | 3729533 |
| InChI | 1S/2C6H7N.H2O4S/c2*7-6-4-2-1-3-5-61-5(2,3)4/h2*1-5H,7H2(H2,1,2,3,4) |
| InChIKey | FUKMEFZGEMVGLD-UHFFFAOYSA-N |
| SMILES | OS(O)(=O)=O.Nc1ccccc1.Nc2ccccc2 |
| EPA | Aniline sulfate (542-16-5) |
화학적 성질
WHITE TO VERY SLIGHTLY YELLOW CRYSTALLINE POWDER
안전 및 규제
| GHS 분류 | DangerH301+H311+H331 (90.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Benzenamine, sulfate (2:1)Benzenamine, sulphate (2:1): Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Aniline and its salts |
| 유해성 요약 | May cause serious eye injury, skin sensitization, and methemoglobinemiaToxic by ingestion, inhalation, and skin absorptionProlonged or repeated exposure may cause organ injurySuspected carcinogen and mutagen[Alfa Aesar MSDS] See Aniline. See Orthanilic acid. |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Lower Explosive Limit (LEL) | 13000 [ppm] |
| Protective Action Criteria (PAC) | 1.2 [mg/m3]13 [mg/m3]79 [mg/m3] |
| 유해 작용 | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 2811 6.1/PG 3 |
| 관세 코드 | 29214200 |
| 위험 문구(R) | 23/24/25-40-41-43-48/23/24/25-50-68 |
| 위험 표시 | T,N |
| 안전 문구(S) | 26-27-36/37/39-45-61-63 |
| 포장분류 | III |
| 위험 등급 | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Eye Dam. 1Muta. 2Skin Sens. 1STOT RE 1 |
| 위험 참고 사항 | Toxic |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
용도
Aniline sulfate was used as an internal standard in the stereoselective disposition of methamphetamine (MAP, a widely abused drug) study.