1-(2-chloroethyl)pyrrolidine hydrochloride

• ChemBase ID: 74403
• Molecular Formular: C6H13Cl2N
• Molecular Mass: 170.08012
• Monoisotopic Mass: 169.04250478
• SMILES: N1(CCCC1)CCCl.Cl
• Canonical SMILES: ClCCN1CCCC1.Cl
• InChI: InChI=1S/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H
• InChIKey: FSNGFFWICFYWQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloroethyl)pyrrolidine hydrochloride
• IUPAC Traditional name: 1-(2-chloroethyl)pyrrolidine hydrochloride
• Synonyms: 2-Pyrrolidinoethyl chloride hydrochloride; 1-(2-Chloroethyl)pyrrolidine hydrochloride; 1-(2-chloroethyl)pyrrolidine hydrochloride; N-(β-CHLOROETHYL)PYRROLIDINE HYDROCHLORIDE; N-(2-Chloroethyl)pyrrolidine hydrochloride; 1-(2-Chloroethyl)pyrrolidine hydrochloride 98%; 2-(1-Pyrrolidinyl)ethyl chloride hydrochloride; 2-Pyrrolidinoethyl chloride 盐酸盐; 1-(2-氯乙基)吡咯烷 盐酸盐; N-(2-氯乙基)吡咯烷盐酸盐

Database IDs

• CAS Number: 7250-67-1
• EC Number: 230-660-7
• MDL Number: MFCD00012718
• Beilstein Number: 3677061
• PubChem SID: 24853825; 24892683; 162039322
• PubChem CID: 81668

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.6670777
• LogD (pH = 7.4): 0.07171987
• Log P: 1.2604568
• Molar Refractivity: 36.8724 cm^3
• Polarizability: 14.396621 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167-170 °C; 167-170 °C(lit.); 168-173°C; 169-171°C

Safety Information

• Storage Warning: Hygroscopic; Irritant/Hygroscopic
• RTECS: UY0703150
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 20/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 9-26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H332-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: ≥98.0% (AT); 97%; 98%
• Grade: purum
• Salt Data: HCl
• Empirical Formula (Hill Notation): C6H12ClN · HCl

DETAILS

MP Biomedicals - 05213177

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C42807

Packaging
25, 100 g in glass bottle