CAS 83558-87-6 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane (HCID 632603)

기본 정보

CAS: 83558-87-6
표준 SMILES: Nc1cc(C(c2ccc(O)c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChIKey: MSTZGVRUOMBULC-UHFFFAOYSA-N
분자식: C15H12F6N2O2
평균 분자량: 366.26 g/mol
단동위원소 질량: 366.08029694

이름 및 식별자

우선 이름: 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane
IUPAC: 2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol
현지명: 페놀, 4,4'-[2,2,2-트라이플루오로-1-(트라이플루오로메틸)에틸리덴]비스[2-아미노-
영어명: 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane
분자식: C15H12F6N2O2
분자량: 366.26

이름 및 동의어

2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropanePhenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2-amino-Phenol, 4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis(2-amino-RefChem:440827617-475-083558-87-64,4'-(Perfluoropropane-2,2-diyl)bis(2-aminophenol)2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol2,2-Bis(3-amino-4-hydroxyphenyl)-hexafluoropropaneMFCD00039147DTXSID708886104,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)bis(2-aminophenol)

이름 더 보기

페놀,4,4'-[2,2,2-트라이플루오로-1-(트라이플루오로메틸)에틸리덴]비스[2-아미노-1,1-비스(3-아미노-4-하이드록시페닐)-2,2,2-트라이플루오로-1-(트라이플루오로메틸)에테인2,2'-다이아미노-4,4'-(퍼플루오로프로페인-2,2-다이일)다이페놀2,2-비스(3-아미노-4-하이드록시페닐)헥사플루오로프로페인2,2-비스(3-아미노-4-하이드록시페닐)-헥사플루오로프로페인4,4'-(헥사플루오로아이소프로필리덴)비스[2-아미노페놀]페놀, 4,4'-[2,2,2-트라이플루오로-1-(트라이플루오로메틸)에틸리덴]비스[2-아미노-헥사플루오로-2,2-비스(3-아미노-4-하이드록시페닐)프로페인6FAP

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 92.5 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 10
회전 가능 결합 수: 2
무거운 원자 수: 25
형식 전하: 0
복잡도: 428

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 245 · 245-248 °C (lit.)
끓는 점: 411.3 · 411.3±45.0 °C(Predicted)
밀도: 1.545 · 1.545±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.07 · 9.07±0.10(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2
InChIKey: MSTZGVRUOMBULC-UHFFFAOYSA-N
SMILES: C(C1=CC=C(O)C(N)=C1)(C1=CC=C(O)C(N)=C1)(C(F)(F)F)C(F)(F)F
EPA: 4 · Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2-amino- (83558-87-6)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29222990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: 2010-3-4749
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2-amino-: ACTIVE

응용 분야 · 2건

용도2,2-bis(3-amino-4-hydroxyphenyl)hexafluoropropane（BisAPAF） is a polyimide monomer.It is mairly used in the aynthesis of the heat resisting polymers,especially in the manufacture of specialty polymeoric electronic material-fluorinated polyimides.

일반 설명2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane, also referred to as 4,4′-(1,1,1,3,3,3-hexafluoro-2,2-propanediyl)bis(2-aminophenol), is an aromatic diamine.