1,3-BIS(3-아미노펜옥시)벤젠

Benzenamine, 3,3'-(1,3-phenylenebis(oxy))bis-

HCID 66342

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 10526-07-5
표준 SMILES: Nc1cccc(Oc2cccc(Oc3cccc(N)c3)c2)c1
InChIKey: DKKYOQYISDAQER-UHFFFAOYSA-N
분자식: C18H16N2O2
평균 분자량: 292.3 g/mol
단동위원소 질량: 292.12117775

이름 및 식별자

우선 이름: Benzenamine, 3,3'-(1,3-phenylenebis(oxy))bis-
IUPAC: 3-[3-(3-aminophenoxy)phenoxy]aniline
현지명: 1,3-BIS(3-아미노펜옥시)벤젠
영어명: 1,3-Bis(3-aminophenoxy)benzene
분자식: C18H16N2O2
분자량: 292.33

이름 및 동의어

1,3-Bis(3-aminophenoxy)benzeneBenzenamine, 3,3'-[1,3-phenylenebis(oxy)]bis-3,3'-(m-Phenylenedioxy)dianilineEINECS 234-082-6DTXSID4065109Benzenamine, 3,3'-(1,3-phenylenebis(oxy))bis-3,3'-[m-phenylenebis(oxy)]dianiline3,3'-(m-Phenylenebis(oxy))dianilineRefChem:561702DTXCID5032943234-082-610526-07-5

이름 더 보기

1,3-BIS(3-아미노펜옥시)벤젠TPE-M1,3,3-APBAPB-133TIMTEC-BB SBB0083561,3-BIS(3-AMINOPHENO1,3-Bis(3-aminophenoxy3,3'-Phenylenedioxydianiline1,3-Bis(m-aminophenoxy)benzene

3,3'-(1,3-Phenylenebis(oxy))dianiline3-[3-(3-aminophenoxy)phenoxy]anilineMFCD000437183,3'-[1,3-Phenylenebis(oxy)]dianiline3-[3-(3-Aminophenoxy)phenoxy]phenylamine3,3'-(1,3-Phenylenedioxy)dianiline-15N2Resorcinol Bis(3-aminophenyl) Ether1,3-bis-(3-Aminophenoxy)benzene

데이터베이스 식별자

CAS: 10526-07-5
PubChem CID: 66342
DTXSID: DTXSID4065109
EC Number: 234-082-6
Nikkaji: J105.954H

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 70.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 309

물리화학적 성질

녹는점: 108 °C · 108°C
끓는 점: 479.9 · 479.9±30.0 °C(Predicted)
밀도: 1.243 · 1.243
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
수용성: 물에 불용성
용해도: Slightly soluble in methanol
물리적 상태: powder to crystal
산도 계수 (pKa): 4.29 · 4.29±0.10(Predicted)
색상: White to Light yellow to Light orange
InChI: InChI=1S/C18H16N2O2/c19-13-4-1-6-15(10-13)21-17-8-3-9-18(12-17)22-16-7-2-5-14(20)11-16/h1-12H,19-20H2
InChIKey: DKKYOQYISDAQER-UHFFFAOYSA-N
SMILES: C1(OC2C=CC=C(N)C=2)=CC=CC(OC2C=CC=C(N)C=2)=C1
EPA: 3 · Benzenamine, 3,3'-[1,3-phenylenebis(oxy)]bis- (10526-07-5)

화학적 성질 · 1건

1,3-Bis(3-aminophenoxy)benzene, also known as TIMTEC-BB SBB008356, is a Light yellow to yellow solid. It has slight solubility in methanol but is insoluble in water. To maintain its stability, it is recommended to store it in a cool and dark place. However, it is incompatible with oxidizing agents and should not be stored or handled near them to avoid any hazardous reactions.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

tsca: TSCA listed
HS 번호: 29222990
risk_code: 20/21/22
safety_code: 26-36/37/39
기존화학 물질: 2009-3-3948

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 3,3'-[1,3-phenylenebis(oxy)]bis-: ACTIVE

응용 분야

용도1,3-Bis(3-aminophenoxy)benzene is an intermediate compound used in the production of synthetic materials, such as PI (polyimide) films and polyimide materials.

제조 방법 · 1건

1,3-Bis(3-aminophenoxy)benzene is a reactive monomer commonly utilized in the synthesis of polyurethane coatings. This compound is processed at 200 degrees Celsius and has a viscosity of 1.5-2.0 centipoise at 25 degrees Celsius. Its chemical structure consists of three amine groups that are ether linked to a benzene ring with one hydroxyl group on the phenoxy side chain. The monomer can be synthesized via acylation reaction or polymerization process, typically through heating with a catalyst. The resulting product is thermally stable and resistant to heat up to 250 degrees Celsius.