CAS 824390-04-7 4-[2-(Trifluoromethyl)phenoxy]piperidine (HCID 5018790)

기본 정보

CAS: 824390-04-7
표준 SMILES: FC(F)(F)c1ccccc1OC1CCNCC1
InChIKey: MBZJEIRMMYDAFD-UHFFFAOYSA-N
분자식: C12H14F3NO
평균 분자량: 245.24 g/mol
단동위원소 질량: 245.10274873

이름 및 식별자

우선 이름: 4-[2-(Trifluoromethyl)phenoxy]piperidine
IUPAC: 4-[2-(trifluoromethyl)phenoxy]piperidine
현지명: 4-[2-(트리플루오로메틸)페녹시]피페리딘
영어명: 4-[2-(Trifluoromethyl)phenoxy]piperidine
분자식: C12H14F3NO
분자량: 245.24

이름 및 동의어

824390-04-74-[2-(trifluoromethyl)phenoxy]piperidine4-(2-(trifluoromethyl)phenoxy)piperidineMFCD062488814-[2-(trifluoromethyl)phenoxy)piperidine4-[2-{Trifluoromethyl}phenoxy]piperidinePiperidine, 4-[2-(trifluoromethyl)phenoxy]-4-[(2-Trifluoromethylphenyl)oxy]piperidine4-(2-Trifluoromethyl-Phenoxy)-Piperidine4-(2-TRIFLUOROMETHYLPHENOXY)PIPERIDINESCHEMBL83377SCHEMBL2093618

이름 더 보기

4-[2-(트리플루오로메틸)페녹시]피페리딘4-(2-Trifluoromethyl-phQSy)piperidine4-2-(Trifluoromethyl)phenoxyüpiperidine

SCHEMBL3118290DTXSID60407571STL069263AKOS000181167SB432094-[2-(trifluoromethyl) phenoxy]piperidine4-[2-(trifluoromethyl)phenoxy]-piperidine4-[2-(trifluoromethyl)-phenoxy]-piperidine

데이터베이스 식별자

CAS: 824390-04-7
PubChem CID: 5018790
DTXSID: DTXSID60407571
EC Number: 676-835-5

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 21.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 238

물리화학적 성질

끓는 점: 96 · 96-97°C/0.5mm
밀도: 1.193 · 1.193
인화점: 136 °C · 136 °C
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 9.66 · 9.66±0.10(Predicted)
수용성: 물에 약간 용해됩니다.

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.