4-(2,4-디플루오로벤조일)-피페리딘염산염

(2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride

HCID 18759874

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 106266-04-0
표준 SMILES: Cl.O=C(c1ccc(F)cc1F)C1CCNCC1
InChIKey: QPJONRGTWKXJLG-UHFFFAOYSA-N
분자식: C12H14ClF2NO
평균 분자량: 261.69 g/mol
단동위원소 질량: 261.0731981

이름 및 식별자

우선 이름: (2,4-Difluorophenyl)(piperidin-4-yl)methanone hydrochloride
IUPAC: (2,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride
현지명: 4-(2,4-디플루오로벤조일)-피페리딘염산염
영어명: 4-(2,4-Difluorobenzoyl)-piperidine hydrochloride
분자식: C12H14ClF2NO
분자량: 261.7

이름 및 동의어

(2,4-difluorophenyl)(piperidin-4-yl)methanone hydrochlorideMethanone, (2,4-difluorophenyl)-4-piperidinyl-, hydrochloride (1:1)RefChem:394591600-732-6106266-04-04-(2,4-Difluorobenzoyl)piperidine hydrochloride4-(2,4-difluorobenzoyl)piperidine hcl4-(2,4-difluorobenzoyl)-piperidine hydrochlorideMFCD01313310(2,4-difluoro-phenyl)-piperidin-4-yl-methanone hydrochloride(2,4-difluorophenyl)-piperidin-4-ylmethanone;hydrochloride4-(2,4-Difluorobenzoyl)piperidine hydrochloride; (2,4-Difluorophenyl)-4-piperidinylmethanone hydrochloride

이름 더 보기

4-(2,4-디플루오로벤조일)-피페리딘염산염Paliperidone Impurity 31Risperidone Impurity 4 HClINTERMEDIATES FOR RISPERIDONE4-(2,4-difluorobenzoyl)-piperidineRisperidone Diflurobenzoyl Impurity4-(2,4-DIFLUOROBENZOYL)-PYRIDINE HCLRisperidone Difluorobenzoyl IMpurityRisperidone Impurity Difluorobenzoyl

Methanone, (2,4-difluorophenyl)-4-piperidinyl-, hydrochloride4-(2,4-Difluorobenzoyl)piperidinehydrochloride63VD8AE76QSCHEMBL1836446DTXSID80596017QPJONRGTWKXJLG-UHFFFAOYSA-NSBB063294AKOS015888702

데이터베이스 식별자

CAS: 106266-04-0
PubChem CID: 18759874
DTXSID: DTXSID80596017
UNII: 63VD8AE76Q
EC Number: 600-732-6

물성

구조 계산 물성

극성 표면적: 29.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 253

물리화학적 성질

녹는점: 203 · 203-206°C (dec.)
저장 조건: Inert atmosphere,Room Temperature
용해도: 에 용해됨메탄올, 물
물리적 상태: 고체
색상: 미색부터 페일 베이지까지
InChI: InChI=1S/C12H13F2NO.ClH/c13-9-1-2-10(11(14)7-9)12(16)8-3-5-15-6-4-8;/h1-2,7-8,15H,3-6H2;1H
InChIKey: QPJONRGTWKXJLG-UHFFFAOYSA-N
SMILES: C1(C=CC(F)=CC=1F)C(=O)C1CCNCC1.Cl

화학적 성질

Off-White to Pale Beige Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H315 (83.3%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.