4-(2-chloroethyl)morpholine hydrochloride

• ChemBase ID: 74402
• Molecular Formular: C6H13Cl2NO
• Molecular Mass: 186.07952
• Monoisotopic Mass: 185.0374194
• SMILES: O1CCN(CC1)CCCl.Cl
• Canonical SMILES: ClCCN1CCOCC1.Cl
• InChI: InChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H
• InChIKey: NBJHDLKSWUDGJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-chloroethyl)morpholine hydrochloride
• IUPAC Traditional name: morpholine, 4-(2-chloroethyl)- hydrochloride
• Synonyms: 4-(2-chloroethyl)morpholine hydrochloride; 2-Morpholinoethyl chloride hydrochloride; 4-(2-Chloroethyl)morpholine hydrochloride; N-(2-Chloroethyl)morpholine hydrochloride 99%; 2-氯乙基吗啉 盐酸盐; 4-(2-氯乙基)吗啉 盐酸盐

Database IDs

• CAS Number: 3647-69-6
• EC Number: 222-881-2
• MDL Number: MFCD00012797
• Beilstein Number: 3684083
• PubChem SID: 24853811; 24892675; 162039321
• PubChem CID: 77210

CALCULATED PROPERTIES

• Log P: 0.6361589
• Molar Refractivity: 38.4059 cm^3
• Polarizability: 15.11678 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.134164
• LogD (pH = 7.4): 0.61016077

PROPERTIES

Physical Property

• Melting Point: 180-185 °C (dec.); 180-185 °C (dec.)(lit.); 184 - 186°C; 184-186°C
• Hydrophobicity(logP): 0.759

Safety Information

• RTECS: QE0260000
• European Hazard Symbols: Toxic (T)
• UN Number: 2923
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 21-25-34-43
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H314-H317
• GHS Precautionary statements: 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 2923 8/PG 3

Product Information

• Purity: ≥97.0% (AT); 95%; 98%; 99%
• Grade: purum
• Salt Data: HCl
• Empirical Formula (Hill Notation): C6H12ClNO · HCl

DETAILS

Sigma Aldrich - C42203

Packaging
5, 100 g in glass bottle