4,4'-Dimethoxydiphenylamine (HCID 7571)

概要

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

名称と識別子

優先名称: 4,4'-Dimethoxydiphenylamine
IUPAC: 4-methoxy-N-(4-methoxyphenyl)aniline
現地名: 4,4'-ジメトキシジフェニルアミン
英語名: 4,4'-DIMETHOXYDIPHENYLAMINE
分子式: C14H15NO2
分子量: 229.27

名称と別名

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

名称をさらに表示

4,4'-ジメトキシジフェニルアミンビス(p-アニシル)アミン1,1'-イミノビス(4-メトキシベンゼン)4-メトキシフェニル(4-メトキシフェニル)アミンジ-p-アニシルアミン4,4'-イミノビス(1-メトキシベンゼン)ビス(4-メトキシフェニル)アミン４，４’ジメトキシジフェニルアミンN,N-ビス(4-メトキシフェニル)アミン4,4′-イミノビス(1-メトキシベンゼン)4,4′-ジメトキシジフェニルアミン4-メトキシ-N-(4-メトキシフェニル)アニリン4,4′-ジメトキシ-(1,1′-イミノビスベンゼン)1,1′-イミノビス(4-メトキシベンゼン)K0353Di-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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.6
極性表面積: 30.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 184

実験および物理化学的性質

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)

物理化学的性質

融点: 101 · 101-102°C
沸点: 371.18 °C · 371.18°C (rough estimate)
比重(密度): 1.0955 · 1.0955 (rough estimate)
屈折率: 1.53 · 1.5300 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム（微量）、酢酸エチル（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 2.16 · 2.16±0.40(Predicted)
色: オフホワイトからライトブラウン
水溶解度: メタノールに可溶。水に不溶。
BRN: 2214262 · 2214262
安定性: 安定性可燃性。強力な酸化剤とは相容れない。
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
CAS データベース: 101 · 101-70-2(CAS DataBase Reference)
NISTの化学物質情報: Di-(4-methoxy phenyl) amine(101-70-2)
EPAの化学物質情報: 4 · 4,4'-Dimethoxydiphenylamine (101-70-2)

化学的性質

化学的特性silver-grey crystalline solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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 · 1 件

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%)

安全と保護具

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

First Aid · 1 件

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 · 1 件

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) · 1 件

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)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: DU9085000
毒性: 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_code: 29222990
risk_code: 68-40-36/37/38
化審法: (3)-2783
hazard_code: Xn
safety_code: 22-36/37/39-36/37-26-53
Hazard Classifications: Carc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

応用分野 · 2 件

説明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].

一般的な説明Fine very light gray to silver-gray crystalline solid.