1-(2-ニトロ-4-トリフルオロメチルフェニル)ピペラジン

1-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine

HCID 2771407

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 58315-38-1
標準SMILES: O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCNCC1
InChIKey: YOBUPGXTLFRIJD-UHFFFAOYSA-N
分子式: C11H12F3N3O2
平均分子量: 275.23 g/mol
単同位体質量: 275.08816112

名称と識別子

優先名称: 1-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine
IUPAC: 1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
現地名: 1-(2-ニトロ-4-トリフルオロメチルフェニル)ピペラジン
英語名: N-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE
分子式: C11H12F3N3O2
分子量: 275.23

名称と別名

58315-38-11-[2-nitro-4-(trifluoromethyl)phenyl]piperazineN-[2-Nitro-4-(trifluoromethyl)phenyl]piperazineMFCD000526131-(2-Nitro-4-trifluoromethylphenyl)-piperazine[2-nitro-4-(trifluoromethyl)phenyl]piperazine1-(2-Nitro-4-(trifluoromethyl)phenyl)piperazinen-(2-nitro-4-(trifluoromethyl)phenyl)piperazine1-(2-Nitro-4-trifluoromethyl-phenyl)-piperazineSCHEMBL615409Piperazine,1-[2-nitro-4-(trifluoromethyl)phenyl]-orb1689769

名称をさらに表示

1-(2-ニトロ-4-トリフルオロメチルフェニル)ピペラジン1-[2-ニトロ-4-(トリフルオロメチル)フェニル]ピペラジンN-[2-ニトロ-4-(トリフルオロメチル)フェニル]ピペラジンBUTTPARK 34\09-11CBI-BB ZERO/006279Nitrotrifluoromethylphenylpiperazine3-NITRO-4-(1-PIPERAZINYL)BENZOTRIFLUORIDE3-Nitro-4-(piperazin-1-yl)BenzotrifluoridePiperazine, 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine97%N-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine 97%

SCHEMBL3551777SCHEMBL30148162DTXSID10377937VHHZVCJGPKXDIC-UHFFFAOYSA-NBBL002982SBB013997STK013417AKOS000288825

データベース識別子

CAS: 58315-38-1
PubChem CID: 2771407
DTXSID: DTXSID10377937
EC Number: 671-961-7
Nikkaji: J267.373H

物性

構造計算による物性

XLogP: 2.1
極性表面積: 61.1 Å²
水素結合供与体数: 1
水素結合受容体数: 7
回転可能結合数: 1
重原子数: 19
形式電荷: 0
複雑度: 326

物理化学的性質

融点: 65 °C · 65 °C
沸点: 370 · 370.0±42.0 °C(Predicted)
比重(密度): 1.355 · 1.355±0.06 g/cm3(Predicted)
酸解離定数(Pka): 8.58 · 8.58±0.10(Predicted)
外見: powder
色: Orange
CAS データベース: 58315 · 58315-38-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2933599590
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39

化学と産業

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化合物ノート

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