1-(3,5-디플루오로페닐)피페라진

1-(3,5-Difluorophenyl)piperazine

HCID 10987219

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 180698-14-0
표준 SMILES: Fc1cc(F)cc(N2CCNCC2)c1
InChIKey: TWSOQIHDPMMWAJ-UHFFFAOYSA-N
분자식: C10H12F2N2
평균 분자량: 198.21 g/mol
단동위원소 질량: 198.09685472

이름 및 식별자

우선 이름: 1-(3,5-Difluorophenyl)piperazine
IUPAC: 1-(3,5-difluorophenyl)piperazine
현지명: 1-(3,5-디플루오로페닐)피페라진
영어명: 1-(3,5-difluorophenyl)piperazine
분자식: C10H12F2N2
분자량: 198.21

이름 및 동의어

1-(3,5-difluorophenyl)piperazine180698-14-0DTXSID10450855RefChem:224072DTXCID60401675825-167-4Piperazine, 1-(3,5-difluorophenyl)-1-(3,5-DIFLUORO-PHENYL)-PIPERAZINE1-(3,5-Difluorophenyl)-PiperazineSCHEMBL3045513TWSOQIHDPMMWAJ-UHFFFAOYSA-NMFCD11110950

이름 더 보기

1-(3,5-디플루오로페닐)피페라진

AKOS010081511AT25486FD81185SB34445SY358123DB-345210EN300-59253

데이터베이스 식별자

CAS: 180698-14-0
PubChem CID: 10987219
DTXSID: DTXSID10450855
EC Number: 825-167-4
Nikkaji: J2.135.631J

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 173

물리화학적 성질

끓는 점: 308.7 · 308.7±42.0 °C(Predicted)
밀도: 1.192 · 1.192±0.06 g/cm3(Predicted)
산도 계수 (pKa): 8.73 · 8.73±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 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.