4,4'-Dimethoxydiphenylamine (HCID 7571)

개요

4,4'-dimethoxydiphenylamine is a fine very light gray to silver-gray crystalline solid. (NTP, 1992)

이름 및 식별자

우선 이름: 4,4'-Dimethoxydiphenylamine
IUPAC: 4-methoxy-N-(4-methoxyphenyl)aniline
현지명: 4,4'-디메톡시디페닐아민
영어명: 4,4'-DIMETHOXYDIPHENYLAMINE
분자식: C14H15NO2
분자량: 229.27

이름 및 동의어

101-70-24,4'-DIMETHOXYDIPHENYLAMINEBis(4-methoxyphenyl)amineDi-p-anisylamineBis(p-anisyl)amineBenzenamine, 4-methoxy-N-(4-methoxyphenyl)-Bis(p-methoxyphenyl)aminep,p'-DimethoxydiphenylamineDi-p-methoxyphenylamineTermofleks ABis(p-anisylamine)Difenam

이름 더 보기

4,4'-디메톡시디페닐아민K0353Di-P-Methoxyphenyl4,4'-DIMETHOXYDIPHEN4,4'-DIMETHOXYDIPHENYL-DIMETHOXYDIPHENYLAMINE

Termofleks A [Czech]CCRIS 46244-Biphenylamine, 4,4'-dimethoxy-N,N-bis(4-Methoxyphenyl)amineDTXSID3025093N-(4-Methoxyphenyl)-p-anisidineEINECS 202-968-1I912MLM9XT

데이터베이스 식별자

CAS: 101-70-2
PubChem CID: 7571
DTXSID: DTXSID3025093
ChEMBL: CHEMBL1586339
UNII: I912MLM9XT
EC Number: 202-968-1
Nikkaji: J3.596C

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 30.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 184

실험 및 물리화학적 성질

Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical Description4,4'-dimethoxydiphenylamine is a fine very light gray to silver-gray crystalline solid. (NTP, 1992)

물리화학적 성질

녹는점: 101 · 101-102°C
끓는 점: 371.18 °C · 371.18°C (rough estimate)
밀도: 1.0955 · 1.0955 (rough estimate)
굴절률: 1.53 · 1.5300 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 2.16 · 2.16±0.40(Predicted)
색상: 황백색부터 연한 갈색까지
수용성: 메탄올에 용해됩니다. 물에 불용성.
BRN: 2214262 · 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 · 4,4'-Dimethoxydiphenylamine (101-70-2)

화학적 성질

silver-grey crystalline solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (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.

유해성 정보

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)

Health HazardsACUTE/CHRONIC HAZARDS: This compound can produce extremely irritating fumes when exposed to air or fire. (NTP, 1992)

Reactive GroupAmines, Phosphines, and Pyridines

Reactivity Profile · 1건

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 ReactionsThis chemical may be sensitive to prolonged exposure to air. Slowly oxidized. Insoluble in water.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1건

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.

Nonfire Spill Response · 1건

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) · 1건

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)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: 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.
HS 번호: 29222990
risk_code: 68-40-36/37/38
hazard_code: Xn
safety_code: 22-36/37/39-36/37-26-53
기존화학 물질: KE-23303
Hazard Classifications: Carc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 4-methoxy-N-(4-methoxyphenyl)-: ACTIVE

응용 분야 · 2건

개요4,4'-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 설명Fine very light gray to silver-gray crystalline solid.