1-(3,5-Dichloropyridin-4-yl)piperazine

HCID 2799984CAS 175277-80-2

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Grundinformationen

Standard-SMILES: Clc1cncc(Cl)c1N1CCNCC1
InChIKey: GPCFTLKHUONISF-UHFFFAOYSA-N
Summenformel: C9H11Cl2N3
Durchschnittliche Molmasse: 232,11 g/mol
Monoisotopische Masse: 231,0330028

Namen und Bezeichner

Bevorzugter Name: 1-(3,5-Dichloropyridin-4-yl)piperazine
IUPAC: 1-(3,5-dichloro-4-pyridinyl)piperazine
Englischer Name: 1-(3,5-Dichloro-4-pyridyl)piperazine
Summenformel: C9H11Cl2N3
Molmasse: 232.11

Namen und Synonyme

1-(3,5-dichloropyridin-4-yl)piperazine175277-80-21-(3,5-DICHLORO-4-PYRIDYL)PIPERAZINEPiperazine, 1-(3,5-dichloro-4-pyridinyl)-MFCD00221400Oprea1_874326SCHEMBL614362SCHEMBL2063946CHEMBL2441620DTXSID70384127GPCFTLKHUONISF-UHFFFAOYSA-N(3,5-dichloro-4-pyridyl)piperazine

Weitere Namen anzeigen

BUTTPARK 43\57-83

CCG-52525SBB097878AKOS015912239AC-9344PS-46711-(3,5-dichloropyrid-4-yl)piperazine1-(3,5-dichloro-4-pyridinyl)piperazine1-(3,5-dichloro-pyridin-4-yl)-piperazine

Datenbank-Bezeichner

CAS: 175277-80-2
PubChem CID: 2799984
DTXSID: DTXSID70384127
ChEMBL: CHEMBL2441620
EC Number: 672-865-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 175

Physikochemische Eigenschaften

Schmelzpunkt: 77 °C · 77 °C
Siedepunkt: 347.1 · 347.1±42.0 °C(Predicted)
Dichte: 1.327 · 1.327±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 8.12 · 8.12±0.10(Predicted)
CAS Datenbank: 175277 · 175277-80-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Corr. 1B (50%)；Skin Irrit. 2 (50%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (50%)