1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine

HCID 667618CAS 132834-58-3

기본 정보

표준 SMILES: FC(F)(F)c1ccc(N2CCNCC2)nc1
InChIKey: BNMSJUIMZULLAS-UHFFFAOYSA-N
분자식: C10H12F3N3
평균 분자량: 231.22 g/mol
단동위원소 질량: 231.09833204

이름 및 식별자

우선 이름: 1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine
IUPAC: 1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
영어명: 1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine
분자식: C10H12F3N3
분자량: 231.22

이름 및 동의어

1-(5-Trifluoromethyl-pyridin-2-yl)-piperazineRefChem:426618670-979-2132834-58-31-[5-(trifluoromethyl)pyridin-2-yl]piperazine1-(5-(Trifluoromethyl)pyridin-2-yl)piperazine1-[5-(trifluoromethyl)pyrid-2-yl]piperazineMFCD001147081-[5-(trifluoromethyl)-2-pyridinyl]piperazine1-(5-trifluoromethyl-2-pyridinyl)-piperazinepiperazine, 1-[5-(trifluoromethyl)-2-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridyl]piperazine

이름 더 보기

BUTTPARK 27\08-98AKOS BBS-000015721-(5-Trifluoromethyl-pyridin-2-yl)-p1-[5-(Trifluoromethyl)pyrid-2-yl]piperazine ,97%1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine97%

1-[5-(trifluoromethyl)pyridine-2-yl]piperazine[5-(trifluoromethyl)-2-pyridyl]piperazineMaybridge3_0064571-(5-trifluoromethylpyridin-2-yl)piperazineSCHEMBL231823SCHEMBL886818CHEMBL5647390SCHEMBL30101389

데이터베이스 식별자

CAS: 132834-58-3
PubChem CID: 667618
DTXSID: DTXSID00349865
ChEMBL: CHEMBL5647390
EC Number: 670-979-2
Nikkaji: J2.293.724C

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 226

물리화학적 성질

녹는점: 43 · 43-46°C
끓는 점: 122 °C · 122 °C (2 mmHg)
밀도: 1.253 · 1.253±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 8.51 · 8.51±0.10(Predicted)
물리적 상태: 수정 덩어리
색상: 약간 노란색

화학적 성질

slightly yellow crystalline chunks

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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