3,4'-옥시디아닐린
3,4""""-옥시디아닐린 · 3,4'-옥시디아닐린 · 3,4'-옥시디아닐린(3,4'-OXYDIANILINE) · 3-(4-aminophenoxy)aniline · 3,4'-ODA · 3,4'-Diaminodiphenyl ether · DAPE · 3,4'-DPE
식별자 및 물리적 특성
| CAS No. | 2657-87-6 |
|---|---|
| 분자식 | C12H12N2O |
| 평균 분자량 | 200.24 g/mol |
| 단동위원소 질량 | 200.094963 g/mol |
| SMILES | Nc1ccc(Oc2cccc(N)c2)cc1 |
| InChIKey | ZBMISJGHVWNWTE-UHFFFAOYSA-N |
| PubChem CID | 75871 |
| EC No. | 220-190-0 |
| DTXSID | DTXSID80181144 |
| 현지명 | 3,4'-옥시디아닐린 |
화학 및 물리적 성질
| XLogP | 2.2 |
|---|---|
| 극성 표면적 | 61.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 190 |
| 녹는점 | 67-71 °C(lit.) |
| 끓는 점 | 206.5 °C1 mm Hg(lit.) |
| 밀도 | 1.1131 (rough estimate) |
| 굴절률 | 1.6660 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | 클로로포름, 메탄올에 용해됨 |
| pKa(산도 계수) | 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 | DangerH301+H311+H331 (14%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (14%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN2811 - class 6.1 - PG 2 - EHS - Toxic solids, organic, n.o.s., HI: all |
| 관세 코드 | 29222990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Muta. 2Repr. 2Skin Sens. 1 |
| 기존화학 물질 | KE-09732 |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
개요
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.
용도
3,4'-Oxydianiline is an ether organic substance and can be used as a pharmaceutical intermediate.