4-(HEXAFLUORO-2-HYDROXYISOPROPYL)아닐린

2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

HCID 577801CAS 722-92-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIKey: TZEJXCIGVMTMDY-UHFFFAOYSA-N
분자식: C9H7F6NO
평균 분자량: 259.15 g/mol
단동위원소 질량: 259.04318316

이름 및 식별자

우선 이름: 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
IUPAC: 2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
현지명: 4-(HEXAFLUORO-2-HYDROXYISOPROPYL)아닐린
영어명: 4-(Hexafluoro-2-hydroxyisopropyl)aniline
분자식: C9H7F6NO
분자량: 259.15

이름 및 동의어

722-92-92-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-olDTXSID50992926RefChem:456688DTXCID401419989670-530-04-(Hexafluoro-2-hydroxyisopropyl)aniline2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanolMFCD000392582-(4-Aminophenyl)hexafluoro-2-propanolC9H7F6NO4-Amino-alpha,alpha-bis(trifluoromethyl)benzyl Alcohol

이름 더 보기

4-(HEXAFLUORO-2-HYDROXYISOPROPYL)아닐린4-(HexafLJACS-722-92-92-(4-Amino-Phenyluoro-2-hydroxyisopropyL2-(4-Aminophenyl) hexafluoropropan-ol4-(Hexafluoro-2-hydroxyisopropyl)aniline97%4-(Hexafluoro-2-hydroxyisopropyl)aniline 97%4-Amino---Bis(Trifluoromethyl)Benzyl Alcohol

2-(4-Aminophenyl)-111333-hexafluoropropan-2-olbenzenemethanol, 4-amino-alpha,alpha-bis(trifluoromethyl)-MLS000564290Enamine_005408Benzenemethanol,4-amino-a,a-bis(trifluoromethyl)-SCHEMBL289673CHEMBL14991712-(4-aminophenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

데이터베이스 식별자

CAS: 722-92-9
PubChem CID: 577801
DTXSID: DTXSID50992926
ChEMBL: CHEMBL1499171
EC Number: 670-530-0
Nikkaji: J640.041H

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 252

물리화학적 성질

녹는점: 147 · 147-152 °C
끓는 점: 292.9 · 292.9±40.0 °C(Predicted)
밀도: 1.505 · 1.505±0.06 g/cm3(Predicted)
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
산도 계수 (pKa): 9.86 · 9.86±0.15(Predicted)
물리적 상태: 결정성 분말
색상: 연한 갈색
BRN: 1473737 · 1473737
InChI: InChI=1S/C9H7F6NO/c10-8(11,12)7(17,9(13,14)15)5-1-3-6(16)4-2-5/h1-4,17H,16H2
InChIKey: TZEJXCIGVMTMDY-UHFFFAOYSA-N
SMILES: C(O)(C(F)(F)F)(C(F)(F)F)C1C=CC(N)=CC=1

화학적 성질

Light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.