1-(4-chlorophenyl)piperazine dihydrochloride

• ChemBase ID: 68761
• Molecular Formular: C10H15Cl3N2
• Molecular Mass: 269.5985
• Monoisotopic Mass: 268.03008153
• SMILES: N1(CCNCC1)c1ccc(cc1)Cl.Cl.Cl
• Canonical SMILES: Clc1ccc(cc1)N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H13ClN2.2ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;;/h1-4,12H,5-8H2;2*1H
• InChIKey: ORKOLISAYPZGHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)piperazine dihydrochloride
• IUPAC Traditional name: para-chlorophenylpiperazine dihydrochloride
• Synonyms: 1-(4-Chlorophenyl)piperazine dihydrochloride; 1-(4-Chlorophenyl)piperazine dihydrochloride; 1-(4-Chlorophenyl)piperazine dihydrochloride; 1-(p-CHLOROPHENYL) PIPERAZINE DIHYDROCHLORIDE; 1-(4-氯苯基)哌嗪 二盐酸盐

Database IDs

• CAS Number: 38869-46-4; 38212-33-8
• EC Number: 254-165-0
• MDL Number: MFCD00012766
• PubChem SID: 24892898; 162034491
• PubChem CID: 12212341

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8536226
• LogD (pH = 7.4): 0.6664841
• Log P: 2.149406
• Molar Refractivity: 56.0468 cm^3
• Polarizability: 21.479546 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 275-278 °C (dec.)(lit.); 275-278°C dec.

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36/37; 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~98-99%; 95%; 95+%; 98%
• Empirical Formula (Hill Notation): C10H13ClN2 · 2HCl

DETAILS

MP Biomedicals - 02150650

Dihydrochloride
Purity: ~98-99%

Sigma Aldrich - C68008

Packaging
25 g in poly bottle
5 g in glass bottle