1-[4-(Trifluoromethyl)benzyl]piperazine

HCID 2782803

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 107890-32-4
표준 SMILES: FC(F)(F)c1ccc(CN2CCNCC2)cc1
InChIKey: FAFAFWFQFVLXGF-UHFFFAOYSA-N
분자식: C12H15F3N2
평균 분자량: 244.26 g/mol
단동위원소 질량: 244.11873314

이름 및 식별자

우선 이름: 1-[4-(Trifluoromethyl)benzyl]piperazine
IUPAC: 1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
영어명: 1-(4-(Trifluoromethyl)benzyl)piperazine&
분자식: C12H15F3N2
분자량: 244.26

이름 및 동의어

1-[4-(Trifluoromethyl)benzyl]piperazine1-(4-(Trifluoromethyl)benzyl)piperazineDTXSID90382307RefChem:428929DTXCID70333332627-900-1107890-32-41-[[4-(trifluoromethyl)phenyl]methyl]piperazine1-{[4-(trifluoromethyl)phenyl]methyl}piperazineN-[4-(Trifluoromethyl)benzyl]piperazine1-(4-TRIFLUOROMETHYLBENZYL)PIPERAZINE1-(4-Trifluoromethyl-benzyl)-piperazine

이름 더 보기

1-(4-TrifluoroMethylbenzyl)piperazine 2HCl1-[4-(Trifluoromethyl)benzyl]piperazine 97%1-[4-(trifluoromethyl)benzyl]piperazine(SALTDATA: FREE)

MFCD03407490EN300-34325Piperazine, 1-[[4-(trifluoromethyl)phenyl]methyl]-orb3022785SCHEMBL1882723SCHEMBL2097422CHEMBL1740116SCHEMBL27993843

데이터베이스 식별자

CAS: 107890-32-4
PubChem CID: 2782803
DTXSID: DTXSID90382307
ChEMBL: CHEMBL1740116
EC Number: 627-900-1

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: 228

물리화학적 성질

끓는 점: 88 · 88-89 °C0.02 mm Hg
밀도: 1.239 g/mL · 1.239 g/mL at 25 °C
굴절률: 20 · n20/D 1.491
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 9.07 · 9.07±0.10(Predicted)
물리적 상태: 투명한 액체
색상: Light orange to Yellow to Green
InChI: 1S/C12H15F3N2/c13-12(14,15)11-3-1-10(2-4-11)9-17-7-5-16-6-8-17/h1-4,16H,5-9H2
InChIKey: FAFAFWFQFVLXGF-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(CN2CCNCC2)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]

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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.6%)

안전 데이터

wgk: 2
ridadr: UN 2811 6.1/PG 3
HS 번호: 2933.59.8000
risk_code: 22-36/37/38
hazard_code: Xn,C
safety_code: 26-36
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

공급사64 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

上海仲因实业有限公司2537653158 16621191650 · [email protected]

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