CAS 180698-14-0 1-(3,5-Difluorophenyl)piperazine (HCID 10987219)

基本情報

CAS: 180698-14-0
標準SMILES: Fc1cc(F)cc(N2CCNCC2)c1
InChIKey: TWSOQIHDPMMWAJ-UHFFFAOYSA-N
分子式: C10H12F2N2
平均分子量: 198.21 g/mol
単同位体質量: 198.09685472

名称と識別子

優先名称: 1-(3,5-Difluorophenyl)piperazine
IUPAC: 1-(3,5-difluorophenyl)piperazine
英語名: 1-(3,5-difluorophenyl)piperazine
分子式: C10H12F2N2
分子量: 198.21

名称と別名

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

名称をさらに表示

AKOS010081511AT25486FD81185SB34445SY358123DB-345210EN300-59253

データベース識別子

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

物性

構造計算による物性

XLogP: 1.6
極性表面積: 15.3 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 173

物理化学的性質

沸点: 308.7 · 308.7±42.0 °C(Predicted)
比重(密度): 1.192 · 1.192±0.06 g/cm3(Predicted)
酸解離定数(Pka): 8.73 · 8.73±0.10(Predicted)

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)

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.