Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4,4'-디메톡시디페닐아민
4,4'-디메톡시디페닐아민 · BIS(4-METHOXYPHENYL)AMINE · K0353 · Termofleks A · DI-P-ANISYLAMINE · BIS(P-ANISYL)AMINE · Di-P-Methoxyphenyl · 4,4'-DIMETHOXYDIPHEN
식별자 및 물리적 특성
| CAS No. | 101-70-2 |
|---|---|
| 분자식 | C14H15NO2 |
| 평균 분자량 | 229.27 g/mol |
| 단동위원소 질량 | 229.11027872 g/mol |
| SMILES | COc1ccc(Nc2ccc(OC)cc2)cc1 |
| InChIKey | VCOONNWIINSFBA-UHFFFAOYSA-N |
| PubChem CID | 7571 |
| ChEMBL | CHEMBL1586339 |
| EC No. | 202-968-1 |
| DTXSID | DTXSID3025093 |
| 현지명 | 4,4'-디메톡시디페닐아민 |
화학 및 물리적 성질
| XLogP | 3.6 |
|---|---|
| 극성 표면적 | 30.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 184 |
| 용해도 | less than 1 mg/mL at 66 °F (NTP, 1992)클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨) |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | 4,4'-dimethoxydiphenylamine is a fine very light gray to silver-gray crystalline solid. (NTP, 1992) |
| 녹는점 | 101-102°C |
| 끓는 점 | 371.18°C (rough estimate) |
| 밀도 | 1.0955 (rough estimate) |
| 굴절률 | 1.5300 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 2.16±0.40(Predicted) |
| 색상 | 황백색부터 연한 갈색까지 |
| 용해도 | 메탄올에 용해됩니다. 물에 불용성. |
| BRN | 2214262 |
| 안정성 | 안정성 가연성. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C14H15NO2/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12/h3-10,15H,1-2H3 |
| InChIKey | VCOONNWIINSFBA-UHFFFAOYSA-N |
| SMILES | COc1ccc(Nc2ccc(OC)cc2)cc1 |
| NIST | Di-(4-methoxy phenyl) amine(101-70-2) |
| EPA | 4,4'-Dimethoxydiphenylamine (101-70-2) |
화학적 성질
silver-grey crystalline solid
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 화재 위험 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: This compound can produce extremely irritating fumes when exposed to air or fire. (NTP, 1992) |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 4,4'-DIMETHOXYDIPHENYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | This chemical may be sensitive to prolonged exposure to air. Slowly oxidized. Insoluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 소화 | Fires involving this material can be controlled with 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 a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a 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. |
| 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) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | DU9085000 |
| 독성 | mouse,LD50,oral,2500mg/kg (2500mg/kg),BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)BEHAVIORAL: TREMORLUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,Kauchuk i Rezina. Crude and Vulcanized Rubber. Vol. 26(9), Pg. 28, 1967. |
| 관세 코드 | 29222990 |
| 위험 문구(R) | 68-40-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 22-36/37/39-36/37-26-53 |
| 기존화학 물질 | KE-23303 |
| 위험 등급 | Carc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
4,4'-Dimethoxydiphenylamine is a diphenylamine containing electron-donating substituents that exhibits antioxidant activity. When present as an antioxidant, it is consumed to generate nitroso radicals, which in turn exert antioxidant effects [1]. It can also be used in the synthesis of 9,9′-bis(fluorenylidene) (KR216) hole-transporting materials. When applied in perovskite solar cells, it achieves a power conversion efficiency of 17.8% [2].
일반 설명
Fine very light gray to silver-gray crystalline solid.