1-아세틸-4-(2,4-디플루오로벤조일)피페리딘

1-Acetyl-4-(2',4'-difluorobenzoyl)piperidine

HCID 2740707

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 84162-82-3
표준 SMILES: CC(=O)N1CCC(C(=O)c2ccc(F)cc2F)CC1
InChIKey: UGPWQEIGJWVJDR-UHFFFAOYSA-N
분자식: C14H15F2NO2
평균 분자량: 267.27 g/mol
단동위원소 질량: 267.10708505

이름 및 식별자

우선 이름: 1-Acetyl-4-(2',4'-difluorobenzoyl)piperidine
IUPAC: 1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone
현지명: 1-아세틸-4-(2,4-디플루오로벤조일)피페리딘
영어명: 1-Acetyl-4-(2,4-difluorobenzoyl)piperidine
분자식: C14H15F2NO2
분자량: 267.27

이름 및 동의어

1-ACETYL-4-(2',4'-DIFLUOROBENZOYL)PIPERIDINERefChem:428995691-183-184162-82-31-(4-(2,4-difluorobenzoyl)piperidin-1-yl)ethanone4-(2',4'-Difluorobenzoyl)-1-acetylpiperidine1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethanone1-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethan-1-one1-Acetyl-4-(2,4-difluorobenzoyl)piperidine(1-acetylpiperidin-4-yl)(2,4-difluorophenyl)methanoneMFCD001794401-[4-(2,4-difluoro-benzoyl)-piperidin-1-yl]-ethanone

이름 더 보기

1-아세틸-4-(2,4-디플루오로벤조일)피페리딘Paliperidone Acetyl Impurity1-[4-(2,4-difluorobenzoyl)-1-piperidinyl]-1-ethanoneEthanone, 1-[4-(2,4-difluorobenzoyl)-1-piperidinyl]-1-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethan-1-one - [D94738]1-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethan-1-one (Risperidone Impurity)

C14H15F2NO2Risperidone Difluoro Acetyl Impurity4-(2,4-Difluorobenzoyl)-N-acetylpiperidine1-[4-(2,4-difluorobenzoyl)-1-piperidyl]ethanone1-(4-(2,4-difluorobenzoyl)piperidin-1-yl)ethan-1-oneRisperidone RC 2F9995-0071Risperidone Impurity 19

데이터베이스 식별자

CAS: 84162-82-3
PubChem CID: 2740707
DTXSID: DTXSID70372387
EC Number: 691-183-1

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 37.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 19
형식 전하: 0
복잡도: 353

물리화학적 성질

녹는점: 97 · 97-98℃
끓는 점: 408.1 · 408.1±45.0 °C(Predicted)
밀도: 1.247 · 1.247±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -1.67 · -1.67±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야

용도1-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethanone is a chemical reagent used in the synthesis of antiproliferative agents as well as for piperidines displaying 5-HT2 antagonist activity.