4-(3-트리푸오로메틸)페닐-4-피페리디놀

4-[3-(Trifluoromethyl)phenyl]-4-piperidinol

HCID 75255CAS 2249-28-7

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기본 정보

표준 SMILES: OC1(c2cccc(C(F)(F)F)c2)CCNCC1
InChIKey: ILKPZCKFWLTEBQ-UHFFFAOYSA-N
분자식: C12H14F3NO
평균 분자량: 245.24 g/mol
단동위원소 질량: 245.10274873

이름 및 식별자

우선 이름: 4-[3-(Trifluoromethyl)phenyl]-4-piperidinol
IUPAC: 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
현지명: 4-(3-트리푸오로메틸)페닐-4-피페리디놀
영어명: 4-(3-Trifuoromethyl)phenyl-4-piperidinol
분자식: C12H14F3NO
분자량: 245.24

이름 및 동의어

2249-28-74-[3-(TRIFLUOROMETHYL)PHENYL]-4-PIPERIDINOL4-[3-(trifluoromethyl)phenyl]piperidin-4-olMFCD000448324-Piperidinol, 4-[3-(trifluoromethyl)phenyl]-4-(alpha,alpha,alpha-Trifluoro-m-tolyl)piperidin-4-ol4-(3-(trifluoromethyl)phenyl)piperidin-4-ol2-Fluoro-4-mesylbenzoic Acid4-(3-Trifuoromethyl)phenyl-4-piperidinol4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidine4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine4-(3-trifluoromethylphenyl)-4-piperidinol

이름 더 보기

4-(3-트리푸오로메틸)페닐-4-피페리디놀NSC 83235MLS000080732SMR000035341EINECS 216-863-3TIMTEC-BB SBB0031844-(3-Trifluoromethylphenyl)-4-2-methylthiazole-25-carboxylic acid4-[3-(Trifluromethyl)phenyl]-4-piperidinol

EINECS 218-840-3XF4TT4N8WX4-(3-Trifluoromethylphenyl)-4-hydroxypiperidine4-hydroxy-4-(3-trifluoromethylphenyl)piperidine4-Hydroxy-4-[(3-trifluoromethyl)phenyl]piperidineSCHEMBL186127SCHEMBL1414020CHEMBL1624025

데이터베이스 식별자

CAS: 2249-28-7
PubChem CID: 75255
DTXSID: DTXSID50177014
ChEMBL: CHEMBL1624025
UNII: XF4TT4N8WX
EC Number: 218-840-3
Nikkaji: J213.142K

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 261

물리화학적 성질

녹는점: 91 · 91-95 °C
끓는 점: 301 °C · 301°C
밀도: 1.253 · 1.253
인화점: 136 °C · 136°C
저장 조건: 2 · 2-8°C, protect from light
물리적 상태: 미세 결정성 분말
산도 계수 (pKa): 13.94 · 13.94±0.20(Predicted)
색상: 라이트 베이지

화학적 성질

LIGHT BEIGE FINE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 5 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 (20%)

안전 데이터

HS 번호: 29333999
risk_code: 36/37/38-22
hazard_code: Xn,Xi
safety_code: 37/39-26-36

화학 및 산업

응용 분야 · 1건

용도4-[3-(Trifluoromethyl)phenyl]-4-piperidinol can be used to synthesize antagonists for CCR1 receptor. It can also be used to synthesize (bisarylmethoxy)butylpiperidine analogues as neurotransmitter transporter inhibitors. It is also an intermediate for xaliproden [135354-02-8].