3,4'-옥시디아닐린

3-(4-Aminophenoxy)aniline

HCID 75871CAS 2657-87-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(Oc2cccc(N)c2)cc1
InChIKey: ZBMISJGHVWNWTE-UHFFFAOYSA-N
분자식: C12H12N2O
평균 분자량: 200.24 g/mol
단동위원소 질량: 200.094963

이름 및 식별자

우선 이름: 3-(4-Aminophenoxy)aniline
IUPAC: 3-(4-aminophenoxy)aniline
현지명: 3,4'-옥시디아닐린
영어명: 3,4'-Oxydianiline
분자식: C12H12N2O
분자량: 200.24

이름 및 동의어

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

이름 더 보기

3,4""""-옥시디아닐린3,4'-옥시디아닐린3,4'-옥시디아닐린(3,4'-OXYDIANILINE)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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 61.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 190

물리화학적 성질

녹는점: 67 · 67-71 °C(lit.)
끓는 점: 206.5 °C1 · 206.5 °C1 mm Hg(lit.)
밀도: 1.1131 · 1.1131 (rough estimate)
굴절률: 1.666 · 1.6660 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)
물리적 상태: 고체
색상: 회백색
안정성: 감광성
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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (14%)

안전 데이터

wgk: 3
ridadr: UN2811 - class 6.1 - PG 2 - EHS - Toxic solids, organic, n.o.s., HI: all
HS 번호: 29222990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: 6.1
기존화학 물질: KE-09732
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Muta. 2Repr. 2Skin Sens. 1
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야 · 2건

개요3,4'-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.

용도3,4'-Oxydianiline is an ether organic substance and can be used as a pharmaceutical intermediate.