1-(3-(Trifluoromethyl)benzyl)piperazine

HCID 2060855

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 55513-16-1
표준 SMILES: FC(F)(F)c1cccc(CN2CCNCC2)c1
InChIKey: IUMQPHHEFKTLOZ-UHFFFAOYSA-N
분자식: C12H15F3N2
평균 분자량: 244.26 g/mol
단동위원소 질량: 244.11873297

이름 및 식별자

우선 이름: 1-(3-(Trifluoromethyl)benzyl)piperazine
IUPAC: 1-[[3-(trifluoromethyl)phenyl]methyl]piperazine
영어명: 1-(3-(TRIFLUOROMETHYL)BENZYL)PIPERAZINE&
분자식: C12H15F3N2
분자량: 244.26

이름 및 동의어

55513-16-11-[3-(Trifluoromethyl)benzyl]piperazine1-(3-(Trifluoromethyl)benzyl)piperazineDTXSID60366194RefChem:224154DTXCID30317234624-981-51-[[3-(trifluoromethyl)phenyl]methyl]piperazine1-{[3-(trifluoromethyl)phenyl]methyl}piperazineMFCD049672841-(3-trifluoromethylbenzyl)piperazineMFCD31560267

이름 더 보기

1-(3-Trifluoromethylbenzyl)piperazine dihydrochloride1-[[3-(TrifluoroMethyl)phenyl]Methyl]-piperazine 2HCl

Piperazine, 1-[[3-(trifluoromethyl)phenyl]methyl]-SCHEMBL1761029SCHEMBL2093612SCHEMBL280012843(trifluoromethyl)benzylpiperazineHMS1729L18AKOS0001182281-(3-Trifluoromethyl-benzyl) piperazine

데이터베이스 식별자

CAS: 55513-16-1
PubChem CID: 2060855
DTXSID: DTXSID60366194
EC Number: 624-981-5

물성

구조 계산 물성

XLogP: 2
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 236

물리화학적 성질

끓는 점: 89 · 89-91 °C0.05 mm Hg
밀도: 1.179 g/mL · 1.179 g/mL at 25 °C
굴절률: 20 · n20/D 1.490
인화점: 230 °F · >230 °F
산도 계수 (pKa): 9.11 · 9.11±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): 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, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 41 reports by companies from 4 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.