基本情報
- CAS
16015-69-3- 標準SMILES
Cl.FC(F)(F)c1cccc(N2CCNCC2)c1- InChIKey
DGNLGWJZZZOYPT-UHFFFAOYSA-N- 分子式
- C11H14ClF3N2
- 平均分子量
- 266.69 g/mol
- 単同位体質量
- 266.0797606
名称と識別子
- 優先名称
- TFMPP hydrochloride
- IUPAC
- 1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
名称と別名
16015-69-31-(3-Trifluoromethylphenyl)piperazine hydrochlorideTFMPP hydrochlorideUNII-41P8ENH29V41P8ENH29V1-(3-(Trifluoromethyl)phenyl)piperazinium chlorideEINECS 240-153-2DTXSID101668081-[3-(Trifluoromethyl)phenyl]piperazinium chloridePIPERAZINE, 1-(3-(TRIFLUOROMETHYL)PHENYL)-, HYDROCHLORIDE (1:1)PIPERAZINE, 1-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)-, MONOHYDROCHLORIDEPiperazine, 1-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
名称をさらに表示
RefChem:188979DTXCID3089299PIPERAZINE, 1-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-, MONOHYDROCHLORIDE1-(3-Trifluoromethylphenyl)piperazine monohydrochloride1-[3-(trifluoromethyl)phenyl]piperazine hydrochlorideC11H14ClF3N21-(3-(trifluoromethyl)phenyl)piperazine hydrochloride1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
データベース識別子
- CAS
16015-69-3- PubChem CID
- 3084246
- DTXSID
DTXSID10166808- ChEMBL
CHEMBL1358289- UNII
- 41P8ENH29V
- EC Number
- 240-153-2
物性
構造計算による物性
- 極性表面積
- 15.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 1
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 224
安全と法規制
GHS分類
GHS Classification
Warning
H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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 46 reports by companies from 6 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.
危険有害性情報
Regulatory Information
Status: Active Update: 05-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29838
Piperazine, 1-3-(trifluoromethyl)phenyl-, monohydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (97.8%)
法規制情報
Regulatory Information
Status: Active Update: 05-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29838
Piperazine, 1-3-(trifluoromethyl)phenyl-, monohydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
関連反応
17 件
化合物ノート
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