3-(4-Aminophenoxy)aniline (HCID 75871)

名称と識別子

優先名称: 3-(4-Aminophenoxy)aniline
IUPAC: 3-(4-aminophenoxy)aniline
現地名: 3,4'-ジアミノジフェニルエーテル
英語名: 3,4'-Oxydianiline
分子式: C12H12N2O
分子量: 200.24

名称と別名

2657-87-63-(4-Aminophenoxy)aniline3,4'-Diaminodiphenyl EtherEINECS 220-190-0ZBMISJGHVWNWTE-UHFFFAOYSA-DTXSID80181144RefChem:492582DTXCID90103635220-190-0InChI=1/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H23,4'-Oxydianiline3,4-oxydianiline

名称をさらに表示

3,4'-ジアミノジフェニルエーテル3,4'-オキシビスベンゼンアミン3,4'-オキシジアニリン(3-アミノフェニル)(4-アミノフェニル)エーテル3-(4-アミノフェノキシ)アニリンp-(m-アミノフェノキシ)アニリン3,4'-オキシビスアニリン(1,1'-オキシビスベンゼン)-3,4'-ジアミン3,4'-オキシビス(アニリン)3,4'-オキシビス(ベンゼンアミン)4-(3-アミノフェノキシ)アニリン3，4’-ジアミノジフェニル＝エーテル3,4′-オキシジアニリン3-アミノフェニル4-アミノフェニルエーテル(1,1′-オキシビスベンゼン)-3,4′-ジアミン3,4′-オキシビスアニリン3,4′-ジアミノジフェニルエーテル(2-アミノエトキシ)({2,3-ビス[(5Z,8Z,11Z,14Z)-イコサ-5,8,11,14-テトラエノイルオキシ]プロポキシ})ホスフィン酸1-O,2-O-ビス[(5Z,8Z,11Z,14Z)-1-オキソ-5,8,11,14-イコサテトラエン-1-イル]-sn-グリセロール3-りん酸(2-アミノエチル)3,4′-オキシビス(アニリン)DAPE3,4'-DPEJACS-2657-87-63,4'-0xydianiline3,4'-Diaminodiphenyl3,4'-Oxybis(aniline)

Benzenamine, 3-(4-aminophenoxy)-MFCD000360973,4'-Oxydianiline, 97%3,4'-Oxydianiline (3,4'-ODA)3,4'-Diamino diphenylether3,4'-oda3,4'-OxydiphenylamineSCHEMBL63373

データベース識別子

CAS: 2657-87-6
PubChem CID: 75871
DTXSID: DTXSID80181144
EC Number: 220-190-0
Nikkaji: J32.005F

物性

構造計算による物性

XLogP: 2.2
極性表面積: 61.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 190

物理化学的性質

融点: 67 · 67-71 °C(lit.)
沸点: 206.5 °C1 · 206.5 °C1 mm Hg(lit.)
比重(密度): 1.1131 · 1.1131 (rough estimate)
屈折率: 1.666 · 1.6660 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
溶解性: クロロホルム、メタノール
酸解離定数(Pka): 4.78 · 4.78±0.10(Predicted)
外見: 個体
色: オフホワイト
安定性: Light sensitive
InChI: InChI=1S/C12H12N2O/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H,13-14H2
InChIKey: ZBMISJGHVWNWTE-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC(OC2=CC=C(N)C=C2)=C1
CAS データベース: 2657 · 2657-87-6(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311+H331 (14%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (14%)

安全データ

wgk: 3
ridadr: UN2811 - class 6.1 - PG 2 - EHS - Toxic solids, organic, n.o.s., HI: all
hs_code: 29222990
risk_code: 36/37/38
化審法: (3)-3633
hazard_code: Xi
safety_code: 26-36
hazard_class: 6.1
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Muta. 2Repr. 2Skin Sens. 1
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

応用分野 · 2 件

説明3,4'-Oxydianiline (3,4'-ODA) is a phenyl ether derivative capped at both ends with two amines in the para and meta positions. 3,4'-ODA is commonly used in the synthesis of polyimides which have multifunctional properties.3,4'-ODA is transparent and can be used as a substrate for displays. Polyimides are transparent and can be used as substrates for displays. 3,4'-ODA can also be used to synthesise organic porous materials with a BET surface area of up to 351 m2/g. Polyetherimide membranes made from this diamine structural unit show good permeation during water-isopropanol separation.

使用3,4'-Oxydianiline is an ether organic substance and can be used as a pharmaceutical intermediate.