5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride

HCID 2794754

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 84163-16-6
표준 SMILES: Cl.Fc1ccc2onc(C3CCNCC3)c2c1
InChIKey: HSOJFILHZZEWJT-UHFFFAOYSA-N
분자식: C12H14ClFN2O
평균 분자량: 256.7 g/mol
단동위원소 질량: 256.07786897

이름 및 식별자

우선 이름: 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
IUPAC: 5-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
영어명: 5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride
분자식: C12H14ClFN2O
분자량: 256.7

이름 및 동의어

5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride5-Fluoro-3-(piperidin-4-yl)-1,2-benzisoxazole hydrochlorideRefChem:535865664-156-7690-836-884163-16-65-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride5-Fluoro-3-piperidin-4-yl-1,2-benzisoxazole hydrochloride5-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole hydrochlorideMFCD062008791,2-Benzisoxazole, 5-fluoro-3-(4-piperidinyl)-, monohydrochloride5-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride

이름 더 보기

5-Fluoro-3-(piperidin-4-yl)Iloperidone Impurity 22 HClIloperidone Impurity 27(Hydrochloride)5-fluoro-3-piperidin-4-yl-1,2-benzoxazole5-Fluoro-3-piperidin-4-yl-benzo[d]isoxazole5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazoleHCl5-fluoro-3-(4-piperidinyl)-1,2-benzoxazole hydrochloride

4-(5-Fluoro-1,2-benzisoxazol-3-yl)piperidine hydrochloridePaliperidone Impurity 9F9995-0329HSOJFILHZZEWJT-UHFFFAOYSA-NIloperidone Impurity 3(HCl)5-Fluoro-3-(piperidin-4-yl)benzo[d]isoxazole HClbenzo[d]isoxazole hydrochlorideorb3030809

데이터베이스 식별자

CAS: 84163-16-6、84163-64-4
PubChem CID: 2794754
DTXSID: DTXSID00383380
EC Number: 664-156-7、690-836-8

물성

구조 계산 물성

극성 표면적: 38.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 245

물리화학적 성질

녹는점: 300 · 300-301
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 회백색
안정성: 흡습성

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

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

Warning

H302+H312+H332 (90.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]