1-(2-chloroethyl)piperidine hydrochloride

• ChemBase ID: 70216
• Molecular Formular: C7H15Cl2N
• Molecular Mass: 184.1067
• Monoisotopic Mass: 183.05815485
• SMILES: N1(CCCCC1)CCCl.Cl
• Canonical SMILES: ClCCN1CCCCC1.Cl
• InChI: InChI=1S/C7H14ClN.ClH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H
• InChIKey: VFLQQZCRHPIGJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethyl)piperidine hydrochloride
• IUPAC Traditional name: 1-(2-chloroethyl)piperidine hydrochloride
• Synonyms: 2-Piperidinoethyl chloride hydrochloride; 1-(2-Chloroethyl)piperidine hydrochloride; N-(β-CHLOROETHYL)PIPERIDINE HCl; 1-(2-Chloroethyl)piperidine hydrochloride; 1-(2-Chloroethyl)piperidine hydrochloride 98%; 2-(1-Piperidino)ethyl chloride hydrochloride; 2-哌啶乙基氯 盐酸盐; 1-(2-氯乙基)哌啶 盐酸盐; 1-(2-氯乙基)哌啶盐酸盐

Database IDs

• CAS Number: 2008-75-5
• EC Number: 217-920-5
• MDL Number: MFCD00012837
• Beilstein Number: 3910268
• PubChem SID: 24892678; 162035939
• PubChem CID: 74826

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.1089522
• LogD (pH = 7.4): 0.6530636
• Log P: 1.7050254
• Molar Refractivity: 41.4734 cm^3
• Polarizability: 16.23566 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229-235°C; 230-232 °C; 230-232 °C(lit.); 232 - 234°C
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Warning: Hygroscopic; IRRITANT; Toxic/Corrosive
• RTECS: TM6482500
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 2928; UN2928
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 28-34; 28-34-68
• Safety Statements: 26-28-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H314; H300-H314-H318-H341
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A; P264-P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2928 6.1/PG 2

Product Information

• Purity: ≥97.0% (AT); 95%; 95+%; 97%; 98%
• Grade: technical
• Salt Data: HCl
• Empirical Formula (Hill Notation): C7H14ClN · HCl

DETAILS

MP Biomedicals - 05214244

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C42602

Packaging
100, 500 g in poly bottle