디페닐아민
디페닐아민 · 다이페닐아민(디페닐아민) · 디페닐아민용액 · 다이페닐아민 · N,N-다이페닐아민 · N-페닐벤젠아민 · N-페닐아닐린Phenylaniline · 아닐리노벤젠
식별자 및 물리적 특성
| CAS No. | 122-39-4 |
|---|---|
| 분자식 | C12H11N |
| 평균 분자량 | 169.22 g/mol |
| 단동위원소 질량 | 169.08914935 g/mol |
| SMILES | c1ccc(Nc2ccccc2)cc1 |
| InChIKey | DMBHHRLKUKUOEG-UHFFFAOYSA-N |
| PubChem CID | 11487 |
| ChEMBL | CHEMBL38688 |
| ChEBI | CHEBI:4640 |
| EC No. | 204-539-4 |
| DTXSID | DTXSID4021975 |
| 현지명 | 디페닐아민 |
화학 및 물리적 성질
| XLogP | 3.5 |
|---|---|
| 극성 표면적 | 12 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 116 |
| 물질 분류 | Dye |
| Polymers | Nitrogen Compounds -> Amines, Polyaromatic |
| SpringerMaterials Properties | Angular frequency |
| 향료 | Fragrance substance (Diphenylamine) -> IFRA amendment 38 |
| 농약 | Pesticide -> EPA IRISPlant Growth RegulatorsActive substance -> EU Pesticides database: Not approvedPesticide (Diphenylamine (DPA)) -> USDA PDB |
| LogP(분배 계수) | log Kow = 3.503.57 |
| 냄새 | Pleasant, floral odor.꽃향기 |
| 밀도 | 1.068 at 141.8 °F (USCG, 1999) - Denser than waterwill sink1.161.2 g/cm³1.158 @ 22°C |
| Color/Form | Monoclinic leaflets from dilute alcoholCrystalsColorless, tan, amber, or brown crystalline solid. |
| 용해도 | less than 1 mg/mL at 61 °F (NTP, 1992)1 g dissolves in 2.2 ml of alcohol, 4 ml propyl alcoholFreely sol in benzene, ether, glacial acetic acid, carbon disulfide.Very sol in ethanol, acetone, benzene, carbon tetrachloride, pyridine, ethyl acetatesol in ether, acetic acidslightly sol in chloroformSoluble in oxygenated and aromatic solventsIn water, 53 mg/liter @ 20 °C0.053 mg/mL at 20 °C알코올에 녹다 |
| 인화점 | 307 °F (NTP, 1992)153 °C OC153 °C c.c. |
| Human Drugs | Pharmaceuticals |
| 녹는점 | 52 °C |
| 끓는 점 | 302 °C(lit.) |
| 증기 밀도 | 5.82 (vs air) |
| 증기압 | 1 mm Hg ( 108 °C) |
| 굴절률 | 1.5785 (estimate) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 수정 같은 |
| pKa(산도 계수) | 0.79(at 25℃) |
| 색상 | 갈색을 띤 노란색 |
| 용해도 | 약간 용해됨. 0.03g/100mL |
| Merck | 14,3317 |
| BRN | 508755 |
| 헨리 상수 | 3.7×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 유전율 | 3.3(11℃) |
| 안정성 | 안정적인빛에 노출되면 변색될 수 있습니다. 강산, 강산화제와 호환되지 않습니다. |
| InChI | 1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H |
| InChIKey | DMBHHRLKUKUOEG-UHFFFAOYSA-N |
| SMILES | N(c1ccccc1)c2ccccc2 |
| LogP(분배 계수) | 3.82 at 20.2℃ |
| NIST | Diphenylamine(122-39-4) |
| EPA | Diphenylamine (122-39-4) |
화학적 성질
Diphenylamine is a colorless monoclinic leafl et substance. It is used in the manufacture of a variety of substances, i.e., dyestuffs and their intermediates, pesticides, antihelmintic drugs, and as reagents in analytical chemistry laboratories.
안전 및 규제
| GHS 분류 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H301+H311+H331 (10.1%): 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, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P337+P317, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Chemical: Benzenamine, N-phenyl-Hazard Traits - CarcinogenicityCommission Regulation (EC) No 33/2008Benzenamine, N-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, N-phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Diphenylamine is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2009/859/EC, Reg. (EU) No 578/2012 |
| 기타 안전 정보 | Evaluation - Benzenamine, N-phenyl- |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Special Hazards of Combustion Products: Toxic oxides of nitrogen may form in fire.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air. |
| 화재 가능성 | Combustible when exposed to heat or flame. |
| 건강 유해성 | Inhalation may irritate mucous membranes. Overexposure, including ingestion of solid or skin contact, may cause fast pulse, hypertension, and bladder trouble. Contact with dust irritates eyes. (USCG, 1999) |
| 유해성 요약 | The toxicity of diphenylamine is similar to that of aniline. Hepatotoxic effects have been demonstrated in animals. It can cause bladder irritation and induce methemoglobinemia in workers. As a skin sensitizer it cross-reacts with p-phenylene diamine. [ACGIH] May have effects on the kidneys and blood |
용도
용도
디페닐아민의 진한 황산용액은 흔적 정도의 질산 및 아질산이 있어도 진한 청색으로 변하므로 이들의 검출제로 쓰인다. 또 당의 발색반응 뿐만 아니라 DNA의 정량 등에 쓰인다(디페닐아민반응). 또 아닐린블루 그 밖에 염료의 제조 원료 및 질산셀룰로오스의 안정제 등에도 쓰인다.
개요
Solutions of diphenylamine are used to treat apples a few days before harvest. Residue on apples’ surfaces of 10 ppm is permitted by regulation in Australia, Canada, and the United States.
용도
Diphenylamine is an aromatic amine that was shown to exhibit antioxidant activities and is now used as an anti-scald agent. It is also used in the manufacture of a variety of substances, for instance, dye stuffs and their intermediates, pesticides, anthelmintic drugs, and as reagents in analytical chemistry laboratories.
일반 설명
Light tan to brown solid with a pleasant odor. Sinks in water.