tetraethylazanium hydrate chloride

• ChemBase ID: 108910
• Molecular Formular: C8H22ClNO
• Molecular Mass: 183.71938
• Monoisotopic Mass: 183.13899201
• SMILES: O.[Cl-].CC[N+](CC)(CC)CC
• Canonical SMILES: CC[N+](CC)(CC)CC.O.[Cl-]
• InChI: InChI=1S/C8H20N.ClH.H2O/c1-5-9(6-2,7-3)8-4;;/h5-8H2,1-4H3;1H;1H2/q+1;;/p-1
• InChIKey: CALLTGJPWMIDPC-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylazanium hydrate chloride
• IUPAC Traditional name: tetraethylammonium hydrate chloride
• Synonyms: TETRAETHYLAMMONIUM CHLORIDE HYDRATE; Tetraethylammonium chloride monohydrate; TEA chloride; Tetraethylammonium chloride hydrate; 四乙基氯化铵 一水合物; TEA 氯化物; 四乙基氯化铵 水合物; 四乙基氯化铵一水合物

Database IDs

• CAS Number: 68696-18-4; 56-34-8
• EC Number: 200-267-5
• MDL Number: MFCD00149992
• Beilstein Number: 3573492; 3563247
• Merck Index: 149200
• PubChem SID: 24847130; 24888700; 162094940
• PubChem CID: 16211205

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.5449352
• LogD (pH = 7.4): -2.5449352
• Log P: -2.5449352
• Molar Refractivity: 54.8961 cm^3
• Polarizability: 16.958946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37.5°C; ca 110°C
• Density: 1.0801

Safety Information

• RTECS: BS6125000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38; R:36/37/38
• Safety Statements: 26; 26-36; 26-37; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0%; 98%
• Linear Formula: (C2H5)4N(Cl) · H2O; (C2H5)4N(Cl) · xH2O

DETAILS

MP Biomedicals - 05209199

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 113042

Packaging
25, 100 g in poly bottle
Application
Phase-transfer catalyst employed in polymerization reactions.1 Electrolyte used in membrane transport studies.2,3

Sigma Aldrich - 86605

Packaging
50, 250 g in poly bottle